![Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate structure](/static/products/1008/1008039-66-4.webp)
Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate
TL;DR: Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate (CAS 1008039-66-4) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
Also Known As: methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate, methyl 4-(1-((4-methoxyphenyl)sulfonyl)pyrrolidine-2-carboxamido)benzoate, methyl 4-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate, METHYL 4-[1-(4-METHOXYBENZENESULFONYL)PYRROLIDINE-2-AMIDO]BENZOATE, A3437/0145893
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.2736 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 986.6364 |
Chemical Identifiers
| CAS Number | 1008039-66-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate (CAS 1008039-66-4), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: methyl 4-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate
Property Insights of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate
The XLogP value of 2.2736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}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 Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate?
The CAS number of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate is 1008039-66-4.
What is the molecular formula of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate?
The molecular formula of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate is C20H22N2O6S.
What is the molecular weight of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate?
The molecular weight of Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate is 418.12 g/mol.
Where can I buy Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate?
You can request a quote for Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({1-[(4-methoxyphenyl)sulfonyl]prolyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.