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CAS 483340-19-8 (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoic Acid molecular structure lightbox
CAS RN: 483340-19-8

(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS483340-19-8
  • Purity/Analytical Methods: >99.0%
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483340-19-8 / (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid

Standard CAS: 483340-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
483340-19-8
Multi CAS
Yes
Molecular Formula
C13F2H13N3O3
Molecular Weight
297.260000
Exact Mass
297.092498
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
InChIKey
JPGBTELGZZSFFQ-ISVAXAHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.08
TPSA
88.24

LogP / Solubility

WLOGP
1.16
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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