methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate
TL;DR: methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate (CAS 353261-01-5) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-prop-2-enylsulfanylbenzimidazole-1-carboxylate
Also Known As: methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate, AI-204/31718016, methyl 2-prop-2-enylsulfanylbenzimidazole-1-carboxylate
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.9289 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 562.63104 |
Chemical Identifiers
| CAS Number | 353261-01-5 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2N=C1SCC=C |
Product Overview
methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate (CAS 353261-01-5), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: methyl 2-prop-2-enylsulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate
Property Insights of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate
The XLogP value of 2.9289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(allylsulfanyl)-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 methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate?
The CAS number of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate is 353261-01-5.
What is the molecular formula of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate?
The molecular formula of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate is C12H12N2O2S.
What is the molecular weight of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate?
The molecular weight of methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate is 248.06 g/mol.
Where can I buy methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate?
You can request a quote for methyl 2-(allylsulfanyl)-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 methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(allylsulfanyl)-1H-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.