CAS 483340-19-8 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 483340-19-8, (alphar,betar)-beta-(2,5-difluorophenyl)-beta-hydroxy-alpha-methyl-1h-1,2,4-triazole-1-butanoic acid, (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid, Schembl3371298, Mfcd28404610, Zinc144690116
Molecular Formula
C13H13F2N3O3
Molecular Weight
297.26  g/mol
InChI Key
JPGBTELGZZSFFQ-ISVAXAHUSA-N

CAS 483340-19-8
1 2D Structure

CAS 483340-19-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid
2.1.2 InChI
InChI=1S/C13H13F2N3O3/c1-8(12(19)20)13(21,5-18-7-16-6-17-18)10-4-9(14)2-3-11(10)15/h2-4,6-8,21H,5H2,1H3,(H,19,20)/t8-,13+/m0/s1
2.1.3 InChI Key
JPGBTELGZZSFFQ-ISVAXAHUSA-N
2.1.4 Canonical SMILES
CC(C(=O)O)C(CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O
2.1.5 Isomeric SMILES
C[C@@H](C(=O)O)[C@](CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 483340-19-8

2. (alphar,betar)-beta-(2,5-difluorophenyl)-beta-hydroxy-alpha-methyl-1h-1,2,4-triazole-1-butanoic Acid

3. (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic Acid

4. Schembl3371298

5. Mfcd28404610

6. Zinc144690116

7. As-74729

8. Cs-0158279

9. A913921

10. (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1h-1,2,4-triazol-1-yl)butanoicacid

11. (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-[1,2,4]-triazol-1-yl-butyric Acid

12. (2r,3r)-2-methyl-3-hydroxy-3-(2,5-difluorophenyl)-4-(1h-1,2,4-triazole-1-yl)butanoic Acid

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 297.26 g/mol
Molecular Formula C13H13F2N3O3
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass297.09249761 g/mol
Monoisotopic Mass297.09249761 g/mol
Topological Polar Surface Area88.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty