methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate
TL;DR: methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate (CAS 196391-40-9) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-benzimidazol-2-ylsulfanyl)propanoate
Also Known As: methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate, ChemDiv1_000461, methyl 2-(1H-benzimidazol-2-ylsulfanyl)propanoate, methyl 2-benzimidazol-2-ylthiopropanoate, BAS 00114627
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.2165 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 476.4088 |
Chemical Identifiers
| CAS Number | 196391-40-9 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=CC=CC=C2N1 |
Product Overview
methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate (CAS 196391-40-9), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: methyl 2-(1H-benzimidazol-2-ylsulfanyl)propanoate.
Chemical Property Profile of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate
Property Insights of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate
The XLogP value of 2.2165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate has 1 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-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate?
The CAS number of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate is 196391-40-9.
What is the molecular formula of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate?
The molecular formula of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate is C11H12N2O2S.
What is the molecular weight of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate?
The molecular weight of methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate is 236.06 g/mol.
Where can I buy methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate?
You can request a quote for methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.