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CAS 35532-08-2 2-(4-Carboxyphenyl)-1H-benzimidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 35532-08-2

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

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35532-08-2
  • Purity/Analytical Methods: >99.0%
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35532-08-2 / 2-(4-carboxyphenyl)-3H-benzimidazole-5-carboxylic acid

Standard CAS: 35532-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35532-08-2
Multi CAS
No
Molecular Formula
C15H10N2O4
Molecular Weight
282.250000
Exact Mass
282.064057
InChI
InChI=1S/C15H10N2O4/c18-14(19)9-3-1-8(2-4-9)13-16-11-6-5-10(15(20)21)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
PVHJOGXTZCUSFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
75.45
TPSA
103.28

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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