Shanghai Minbiotech

QYOWWJNQQPRWCO-QPUJVOFHSA-N

Chemistry, 2 End Use API, 24 Related Intermediates

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Also known as: 241479-73-2, (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)-methyl]-oxirane, 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole, 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-triazole, Schembl1828222, Zinc34279570

Molecular Formula

C₁₂H₁₁F₂N₃O

Molecular Weight

251.23 g/mol

InChI Key

QYOWWJNQQPRWCO-QPUJVOFHSA-N

1 2D Structure

QYOWWJNQQPRWCO-QPUJVOFHSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

2.1.2 InChI

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1

2.1.3 InChI Key

QYOWWJNQQPRWCO-QPUJVOFHSA-N

2.1.4 Canonical SMILES

CC1C(O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)F

2.1.5 Isomeric SMILES

C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 241479-73-2

2. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)-methyl]-oxirane

3. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

4. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-triazole

5. Schembl1828222

6. Zinc34279570

7. Bs-51355

8. A854828

9. A1-03608

10. 1-[[(2r,3s)-2-(2,5-difluorophenyl)-3-methyloxiranyl]methyl]-1h-1,2,4-

11. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)methyl]oxirane

12. (2r,3s)-2-(2,5-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazole-1-yl)methyl]oxirane

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁F₂N₃O
Molecular Weight	251.23 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	251.08701831 g/mol
Monoisotopic Mass	251.08701831 g/mol
Topological Polar Surface Area	43.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	320
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

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Shanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H...

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CAS Number

368421-58-3

End Use API

Isavuconazonium Sulfate

About the Company

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.