![Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate structure](/static/products/4384/438480-04-7.webp)
Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate
TL;DR: Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate (CAS 438480-04-7) is a chemical compound with molecular formula C19H20ClN3O5S and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate
Also Known As: VU0513228-1, methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate, methyl 3-(3-(1-((4-chlorophenyl)sulfonyl)pyrrolidin-2-yl)ureido)benzoate, methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate, p-chlorophenyl-2-[3-(m-methoxycarbonylphenyl)ureido]-1-pyrrolidinyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C19H20ClN3O5S |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 3.0589 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0812 |
| Heavy Atoms | 29 |
| Complexity | 1010.7596 |
Chemical Identifiers
| CAS Number | 438480-04-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)NC2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate (CAS 438480-04-7), with molecular formula C19H20ClN3O5S and molecular weight 437.08 g/mol. IUPAC: methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate
Property Insights of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate
The XLogP value of 3.0589 indicates that Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate has 2 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 Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate?
The CAS number of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate is 438480-04-7.
What is the molecular formula of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate?
The molecular formula of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate is C19H20ClN3O5S.
What is the molecular weight of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate?
The molecular weight of Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate is 437.08 g/mol.
Where can I buy Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate?
You can request a quote for Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}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 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-({[1-(4-chlorobenzenesulfonyl)pyrrolidin-2-yl]carbamoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.