CAS RN: 124340-85-8
1H-Benzimidazole-7-carboxylic acid, 2-(2-pyridinyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124340-85-8
- Purity/Analytical Methods: >99.0%
124340-85-8 / 2-pyridin-2-yl-1H-benzimidazole-4-carboxylic acid
Basic Information
CAS
124340-85-8
Multi CAS
No
Molecular Formula
C13H9N3O2
Molecular Weight
239.230000
Exact Mass
239.069477
SMILES
C1=CC=NC(=C1)C2=NC3=C(C=CC=C3N2)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h1-7H,(H,15,16)(H,17,18)
InChIKey
ORKPQHISLNQQGP-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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