Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate
TL;DR: Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate (CAS 380155-65-7) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-methylsulfanylbenzimidazole-1-carboxylate
Also Known As: phenyl 2-methylsulfanylbenzimidazole-1-carboxylate, phenyl 2-methylthiobenzimidazolecarboxylate, Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate, A2497/0106193, Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate #
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 380155-65-7 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N1C(=O)OC3=CC=CC=C3 |
| InChIKey | CJXRMCAPYHIVLL-UHFFFAOYSA-N |
Product Overview
Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate (CAS 380155-65-7), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: phenyl 2-methylsulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate
Property Insights of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate
The XLogP value of 4.1 indicates that Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate. Following Lipinski's Rule of Five, Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate has 0 hydrogen bond donor(s) and 4 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 Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate?
The CAS number of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate is 380155-65-7.
What is the molecular formula of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate?
The molecular formula of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate is C15H12N2O2S.
What is the molecular weight of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate?
The molecular weight of Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate is 284.06 g/mol.
Where can I buy Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate?
You can request a quote for Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(methylsulfanyl)-1H-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.