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CAS 669070-64-8 2-(2-Pyridinyl)-1H-benzimidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 669070-64-8

2-(2-Pyridinyl)-1H-benzimidazole-5-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250818 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS669070-64-8
  • Purity/Analytical Methods: >99.0%
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669070-64-8 / 2-pyridin-2-yl-3H-benzimidazole-5-carboxylic acid

Standard CAS: 669070-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669070-64-8
Multi CAS
No
Molecular Formula
C13H9N3O2
Molecular Weight
239.230000
Exact Mass
239.069477
InChI
InChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)
InChIKey
HCHZJVIOJPDFKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.28
TPSA
78.87

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
1.6
Consensus LogP
1.99
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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