![CAS 1696392-11-6 1-[(2′-carbaMoylbiphenyl-4-yl) Methyl]-2-ethoxybenziMidazole-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82611222.gif)
CAS RN: 1696392-11-6
1-[(2′-carbaMoylbiphenyl-4-yl) Methyl]-2-ethoxybenziMidazole-7-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.20260207 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1696392-11-6
- Purity/Analytical Methods: >99.0%
1696392-11-6 / 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
Basic Information
CAS
1696392-11-6
Multi CAS
No
Molecular Formula
C24H21N3O4
Molecular Weight
415.400000
Exact Mass
415.153206
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)O
InChI
InChI=1S/C24H21N3O4/c1-2-31-24-26-20-9-5-8-19(23(29)30)21(20)27(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22(25)28/h3-13H,2,14H2,1H3,(H2,25,28)(H,29,30)
InChIKey
DEKJJZVBGQUKPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
117.36
TPSA
107.44
LogP / Solubility
WLOGP
3.95
MLOGP
3.5
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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