CAS 915095-89-5

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

13 Suppliers, 13 End Use APIs, 78 Related Intermediates

13 Suppliers
13 End Use APIs
78 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 915095-89-5, (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan, (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane, 4wr8p4hz8g, (s)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy) tetrahydrofuran, Furan, 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3s)-

Molecular Formula

C₁₇H₁₆BrClO₂

Molecular Weight

367.7 g/mol

InChI Key

HUNLNKBDQXGMAP-INIZCTEOSA-N

FDA UNII

4WR8P4HZ8G

1 2D Structure

CAS 915095-89-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane

2.1.2 InChI

InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1

2.1.3 InChI Key

HUNLNKBDQXGMAP-INIZCTEOSA-N

2.1.4 Canonical SMILES

C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl

2.1.5 Isomeric SMILES

C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl

2.2 Other Identifiers

2.2.1 UNII

4WR8P4HZ8G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 915095-89-5

2. (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan

3. (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane

4. 4wr8p4hz8g

5. (s)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy) Tetrahydrofuran

6. Furan, 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3s)-

7. Furan, 3-(4-((5-bromo-2-chlorophenyl)methyl)phenoxy)tetrahydro-, (3s)-

8. (3s)-3-{4-[(5-bromo-2-chlorophenyl)methyl]phenoxy}oxolane

9. Mfcd27920793

10. Unii-4wr8p4hz8g

11. Schembl2638119

12. Amy16484

13. Bcp11193

14. Zinc34775526

15. Akos022186156

16. Ds-7819

17. Ac-26974

18. Cs-0015036

19. (3s)-3-(4-((5-bromo-2-chlorophenyl)methyl)phenoxy)tetrahydrofuran

2.4 Create Date

2007-02-21

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₆BrClO₂
Molecular Weight	367.7 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	366.00222 g/mol
Monoisotopic Mass	366.00222 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	320
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