2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester
TL;DR: 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester (CAS 311332-60-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-2-oxoethyl)sulfanylbenzimidazole-1-carboxylate
Also Known As: ethyl 2-(carbamoylmethylthio)benzimidazolecarboxylate, 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester, ethyl 2-(2-amino-2-oxoethyl)sulfanylbenzimidazole-1-carboxylate, A1164/0054267, ethyl 2-[(2-amino-2-oxoethyl)thio]-1H-benzimidazole-1-carboxylate
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 311332-60-2 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N |
| InChIKey | WDRGLUQNHPFXCJ-UHFFFAOYSA-N |
Product Overview
2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester (CAS 311332-60-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: ethyl 2-(2-amino-2-oxoethyl)sulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester
Property Insights of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester has 1 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 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester?
The CAS number of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester is 311332-60-2.
What is the molecular formula of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester?
The molecular formula of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester is C12H13N3O3S.
What is the molecular weight of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester?
The molecular weight of 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester is 279.07 g/mol.
Where can I buy 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester?
You can request a quote for 2-Carbamoylmethylsulfanyl-benzoimidazole-1-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 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoylmethylsulfanyl-benzoimidazole-1-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.