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CAS 850705-30-5 2-(4-Fluorophenyl)-1H-benzimidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 850705-30-5

2-(4-Fluorophenyl)-1H-benzimidazole-5-carboxylic acid

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250516 1mg Out of stock Inquiry
Batchno.20250222 5mg Out of stock Inquiry
  • Product code: starshine_CAS850705-30-5
  • Purity/Analytical Methods: >99.0%
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850705-30-5 / 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid

Standard CAS: 850705-30-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850705-30-5
Multi CAS
Yes
Molecular Formula
C14FH9N2O2
Molecular Weight
256.230000
Exact Mass
256.064806
InChI
InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKey
YLECAKVNZMDMNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.45
TPSA
65.98

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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