![CAS 50264-63-6 1-[(4-Fluorophenyl)methyl]-1H-indazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50264-63-6.gif)
CAS RN: 50264-63-6
1-[(4-Fluorophenyl)methyl]-1H-indazole-3-carboxylic acid
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS50264-63-6
- Purity/Analytical Methods: >99.0%
50264-63-6 / 1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid
Basic Information
CAS
50264-63-6
Multi CAS
No
Molecular Formula
C15FH11N2O2
Molecular Weight
270.260000
Exact Mass
270.080456
InChI
InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
InChIKey
VRKPPEZAPRSYRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.19
TPSA
55.12
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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