Beijing Mesochem Technology

CAS 459868-73-6

Chemistry, 1 End Use API, 23 Related Intermediates

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Also known as: 459868-73-6, 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile, 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile, 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile, (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile, Schembl12247877

Molecular Formula

C₂₂H₂₇N₃O

Molecular Weight

349.5 g/mol

InChI Key

XYFDLYCEXANTHE-QGZVFWFLSA-N

1 2D Structure

CAS 459868-73-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(2R)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile

2.1.2 InChI

InChI=1S/C22H27N3O/c1-17(24)12-19-13-20-8-10-25(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14,17H,5,8-12,16,24H2,1H3/t17-/m1/s1

2.1.3 InChI Key

XYFDLYCEXANTHE-QGZVFWFLSA-N

2.1.4 Canonical SMILES

CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N

2.1.5 Isomeric SMILES

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 459868-73-6

2. 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile

3. 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile

4. 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile

5. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile

6. Schembl12247877

7. Dtxsid50432615

8. Zinc34021631

9. Akos016007588

10. Ac-23951

11. 868a736

12. (r )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

13. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

14. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-7-indolinecarbonitrile

15. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇N₃O
Molecular Weight	349.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	349.215412493 g/mol
Monoisotopic Mass	349.215412493 g/mol
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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5-[(2R)-2-aminopropyl]]-1-[3-(benzoyloxy)propyl]-2,3-di...

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CAS Number

CAS-239463-85-5

End Use API

Silodosin

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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