CAS RN: 124340-93-8
2-PYRIDIN-4-YL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
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.20250324 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS124340-93-8
- Purity/Analytical Methods: >99.0%
124340-93-8 / 2-pyridin-4-yl-1H-benzimidazole-4-carboxylic acid
Basic Information
CAS
124340-93-8
Multi CAS
No
Molecular Formula
C13H9N3O2
Molecular Weight
239.230000
Exact Mass
239.069477
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-7H,(H,15,16)(H,17,18)
InChIKey
PWMIUJKAAICMHR-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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![CAS 124346-74-3 5,6,7-TRIMETHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124346-74-3.gif)
