Pmc Isochem

84541-38-8

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 84541-38-8, [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone, Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, Schembl1665661, Chembl1195663, Dtxsid00444581

Molecular Formula

C₃₀H₃₁NO₄S

Molecular Weight

501.6 g/mol

InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

1 2D Structure

84541-38-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

2.1.2 InChI

InChI=1S/C30H31NO4S/c1-33-23-10-8-22(9-11-23)30-28(26-15-14-25(34-2)20-27(26)36-30)29(32)21-6-12-24(13-7-21)35-19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3

2.1.3 InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84541-38-8

2. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

3. Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-

4. Schembl1665661

5. Chembl1195663

6. Dtxsid00444581

7. Zinc13834282

8. Akos030255850

9. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

10. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone

11. Hy-135580

12. Cs-0113546

13. Ft-0674307

14. Ft-0674308

15. 2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-6-methoxybenzo[b]thiophene

16. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene

17. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]benzo[b]thiophene

18. (4-(2-(piperidin-1-yl)ethoxy)phenyl)(6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)methanone

19. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]{4-[2-(piperidin-1-yl)ethoxy]phenyl}methanone

20. [6-methoxy-2-(4-methoxyphenyl)-benzo-[b]-thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

21. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

22. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone; [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₁NO₄S
Molecular Weight	501.6 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76.2
Heavy Atom Count	36
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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Digital Content

4-(2-Piperidinoethoxy)benzoyl chloride, HCl

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CAS Number

84449-81-0

End Use API

Raloxifene Hydrochloride

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.