![Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate structure](/static/products/4121/41215-90-1.webp)
Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate
TL;DR: Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate (CAS 41215-90-1) is a chemical compound with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate
Also Known As: Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate, ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate, Ethyl 2-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate, 2-[(4-chloro-phenylcarbamoyl)-methylsulfanyl]-benzoimidazole-1-carboxylic acid ethyl ester, Ethyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1H-1,3-benzimidazole-1-carboxylate
| Molecular Formula | C18H16ClN3O3S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.4251 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0601 |
| Heavy Atoms | 26 |
| Complexity | 940.5092 |
Chemical Identifiers
| CAS Number | 41215-90-1 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate (CAS 41215-90-1), with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol. IUPAC: ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate
Property Insights of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate
The XLogP value of 4.4251 indicates that Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate 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 Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate?
The CAS number of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate is 41215-90-1.
What is the molecular formula of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate?
The molecular formula of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate is C18H16ClN3O3S.
What is the molecular weight of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate?
The molecular weight of Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate is 389.06 g/mol.
Where can I buy Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate?
You can request a quote for Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-chlorophenylcarbamoyl)methylthio]-1H-benzo[d]imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.