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CAS 915095-94-2 manufacturers and suppliers on PharmaCompass

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CAS 915095-94-2
Also known as: 915095-94-2, (s)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene, (3s)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan, 3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan, (3s)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane, (3s)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane
Molecular Formula
C17H16ClIO2
Molecular Weight
414.7  g/mol
InChI Key
YLUHNGIWRCCQMQ-INIZCTEOSA-N

1 2D Structure

CAS 915095-94-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane
2.1.2 InChI
InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)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
YLUHNGIWRCCQMQ-INIZCTEOSA-N
2.1.4 Canonical SMILES
C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)I)Cl
2.1.5 Isomeric SMILES
C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)I)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 915095-94-2

2. (s)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene

3. (3s)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan

4. 3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan

5. (3s)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane

6. (3s)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane

7. (s)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)-tetrahydrofuran

8. (3s)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

9. (3s)-3-[4-(2-chloro-5-iodobenzyl)phenoxy]tetrahydrofuran

10. Schembl1647749

11. Dtxsid20893799

12. (s)-3-(4-(2-chlor-5-iod-benzyl)-phenoxy)-tetrahydro-furan

13. Amy16483

14. Bcp11842

15. Mfcd28098707

16. Zinc34775235

17. Akos024462514

18. Ds-9823

19. Cs-0010416

20. P14530

21. A854816

22. (s)-3-[4-(2-chlor-5-iod-benzyl)-phenoxy]tetrahydrofuran

23. (s)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)-tetrahydrofuran;(s)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

2.3 Create Date
2007-02-21
3 Chemical and Physical Properties
Molecular Weight 414.7 g/mol
Molecular Formula C17H16ClIO2
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass413.98836 g/mol
Monoisotopic Mass413.98836 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
915095-94-2
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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