![Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate structure](/static/products/1008/1008003-15-3.webp)
Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate
TL;DR: Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate (CAS 1008003-15-3) is a chemical compound with molecular formula C21H22N2O6S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
Also Known As: ethyl 4-(5-oxo-1-tosylpyrrolidine-2-carboxamido)benzoate, ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate, ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate, ETHYL 4-[1-(4-METHYLBENZENESULFONYL)-5-OXOPYRROLIDINE-2-AMIDO]BENZOATE
| Molecular Formula | C21H22N2O6S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 2.49012 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.11984 |
| Heavy Atoms | 30 |
| Complexity | 1061.6804 |
Chemical Identifiers
| CAS Number | 1008003-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(=O)N2S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate (CAS 1008003-15-3), with molecular formula C21H22N2O6S and molecular weight 430.12 g/mol. IUPAC: ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate
Property Insights of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate
The XLogP value of 2.49012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}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-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate?
The CAS number of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate is 1008003-15-3.
What is the molecular formula of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate?
The molecular formula of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate is C21H22N2O6S.
What is the molecular weight of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate?
The molecular weight of Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate is 430.12 g/mol.
Where can I buy Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate?
You can request a quote for Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}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-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.