![Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate structure](/static/products/774/774187-99-4.png)
Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate (CAS 774187-99-4) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
Also Known As: ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate, ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.90252 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 682.92096 |
Chemical Identifiers
| CAS Number | 774187-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)C |
Product Overview
Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate (CAS 774187-99-4), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.90252 indicates that Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate 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 Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate is 774187-99-4.
What is the molecular formula of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate is C18H19NO3S.
What is the molecular weight of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate is 329.11 g/mol.
Where can I buy Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.