1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester
TL;DR: 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester (CAS 113372-38-6) is a chemical compound with molecular formula C22H15N3O4 and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl 2-cyano-2H-benzimidazole-1,3-dicarboxylate
Also Known As: diphenyl 2-cyano-2H-benzimidazole-1,3-dicarboxylate, 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester, 2-cyano-2,3-dihydro-1,3-bis(phenoxycarbonyl)benzimidazole, diphenyl 2-cyano-1H-benzimidazole-1,3(2H)-dicarboxylate, Diphenyl 2-cyano-1H-1,3-benzimidazole-1,3(2H)-dicarboxylate
| Molecular Formula | C22H15N3O4 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.10626 |
| Heavy Atoms | 29 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 113372-38-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)N2C(N(C3=CC=CC=C32)C(=O)OC4=CC=CC=C4)C#N |
| InChIKey | PPBUXVVLOOYGAM-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester (CAS 113372-38-6), with molecular formula C22H15N3O4 and molecular weight 385.11 g/mol. IUPAC: diphenyl 2-cyano-2H-benzimidazole-1,3-dicarboxylate.
Chemical Property Profile of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester
Property Insights of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester
The XLogP value of 4.3 indicates that 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester. Following Lipinski's Rule of Five, 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester?
The CAS number of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester is 113372-38-6.
What is the molecular formula of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester?
The molecular formula of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester is C22H15N3O4.
What is the molecular weight of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester?
The molecular weight of 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester is 385.11 g/mol.
Where can I buy 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester?
You can request a quote for 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-1,3(2H)-dicarboxylic acid, 2-cyano-, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.