![CAS 1163685-30-0 1-(1H-benzo[d]imidazol-2-yl)-3-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1163685-30-0.gif)
CAS RN: 1163685-30-0
1-(1H-benzo[d]imidazol-2-yl)-3-methyl-4-oxo-1,4-dihydropyridine-2-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.20260413 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1163685-30-0
- Purity/Analytical Methods: >99.0%
1163685-30-0 / 1-(1H-benzimidazol-2-yl)-3-methyl-4-oxopyridine-2-carboxylic acid
Rabeprazole rca free acid | O5O9ZS633T | UNII-O5O9ZS633T
Basic Information
CAS
1163685-30-0
Multi CAS
Yes
Molecular Formula
C14H11N3O3
Molecular Weight
269.250000
Exact Mass
269.080041
SMILES
CC1=C(N(C=CC1=O)C2=NC3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C14H11N3O3/c1-8-11(18)6-7-17(12(8)13(19)20)14-15-9-4-2-3-5-10(9)16-14/h2-7H,1H3,(H,15,16)(H,19,20)
InChIKey
CBHQVBYUZFZICT-UHFFFAOYSA-N
Synonyms
Rabeprazole rca free acid
O5O9ZS633T
UNII-O5O9ZS633T
1-(1H-Benzimidazol-2-yl)-1,4-dihydro-3-methyl-4-oxo-2-pyridinecarboxylic Acid
DTXSID40735425
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.39
TPSA
87.98
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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