1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester
TL;DR: 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester (CAS 295345-27-6) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate
Also Known As: 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester, ethyl 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylate, BAS 00463360, ethyl 1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate, ethyl 1-ethyl-2-sulfanylbenzimidazole-5-carboxylate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.89549 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 612.4834 |
Chemical Identifiers
| CAS Number | 295345-27-6 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OCC)NC1=S |
Product Overview
1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester (CAS 295345-27-6), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: ethyl 1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate.
Chemical Property Profile of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester
Property Insights of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester
The XLogP value of 2.89549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 47.02 Ų, 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 3 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 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester?
The CAS number of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester is 295345-27-6.
What is the molecular formula of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester?
The molecular formula of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester is C12H14N2O2S.
What is the molecular weight of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester?
The molecular weight of 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester is 250.08 g/mol.
Where can I buy 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester?
You can request a quote for 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-mercapto-1H-benzoimidazole-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.