ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate
TL;DR: ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate (CAS 6629-69-2) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methoxyphenyl)propanoate
Also Known As: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methoxyphenyl)propanoate, ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate, Ethyl 2-(1H-benzoimidazol-2-ylsulfanyl)-3-(4-methoxyphenyl)propanoate
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.838 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 812.2563 |
Chemical Identifiers
| CAS Number | 6629-69-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3N2 |
Product Overview
ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate (CAS 6629-69-2), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate
Property Insights of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate
The XLogP value of 3.838 indicates that ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate 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-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate?
The CAS number of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate is 6629-69-2.
What is the molecular formula of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate?
The molecular formula of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate is C19H20N2O3S.
What is the molecular weight of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate?
The molecular weight of ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate is 356.12 g/mol.
Where can I buy ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate?
You can request a quote for ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1H-benzimidazol-2-ylthio)-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.