![Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate structure](/static/products/3532/353253-65-3.webp)
Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate (CAS 353253-65-3) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]benzoate
Also Known As: AI-020/37280123, ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]benzoate, ethyl 4-(2-((morpholine-4-carbonothioyl)thio)acetamido)benzoate
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.1521 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 586.2451 |
Chemical Identifiers
| CAS Number | 353253-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCOCC2 |
Product Overview
Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate (CAS 353253-65-3), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: ethyl 4-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 2.1521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 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 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate is 353253-65-3.
What is the molecular formula of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate is C16H20N2O4S2.
What is the molecular weight of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate is 368.09 g/mol.
Where can I buy Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(4-morpholinylcarbothioyl)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 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(4-morpholinylcarbothioyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.