CAS 175712-02-4

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

5 Suppliers, 4 End Use APIs, 52 Related Intermediates

5 Suppliers
4 End Use APIs
52 Related Intermediates

MARKET PLACE

1 Intermediates

1 Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 175712-02-4, [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate, D-threo-pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-, Ks-00000srd, Schembl20917659, Dtxsid301101715

Molecular Formula

C₂₀H₁₈ClF₂N₃O₄S

Molecular Weight

469.9 g/mol

InChI Key

WUPORSBDFSRGHD-XOBRGWDASA-N

1 2D Structure

CAS 175712-02-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate

2.1.2 InChI

InChI=1S/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1

2.1.3 InChI Key

WUPORSBDFSRGHD-XOBRGWDASA-N

2.1.4 Canonical SMILES

C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl

2.1.5 Isomeric SMILES

C1[C@@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 175712-02-4

2. [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate

3. D-threo-pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-

4. Ks-00000srd

5. Schembl20917659

6. Dtxsid301101715

7. Amy14830

8. Mfcd28009665

9. Zinc140123859

10. [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl 4-chlorobenzenesulfonate

11. Ds-11496

12. Cs-0157409

13. C73349

14. A911618

15. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl4-chlorobenzenesulfonate

16. 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol

17. 4-chlorobenzenesulfonic Acid [(3s)-5alpha-(2,4-difluorophenyl)-5-(1h-1,2,4-triazole-1-ylmethyl)tetrahydrofuran-3beta-yl]methyl Ester

2.3 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight	469.9 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	469.0674613 g/mol
Monoisotopic Mass	469.0674613 g/mol
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1