![isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate structure](/static/products/7130/713081-08-4.webp)
isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
TL;DR: isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate (CAS 713081-08-4) is a chemical compound with molecular formula C22H23ClN2O4 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
Also Known As: isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate, propan-2-yl 4-({[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate, propan-2-yl 4-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate, isopropyl 4-(1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamido)benzoate
| Molecular Formula | C22H23ClN2O4 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.20522 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.13464 |
| Heavy Atoms | 29 |
| Complexity | 940.3285 |
Chemical Identifiers
| CAS Number | 713081-08-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)Cl |
Product Overview
isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate (CAS 713081-08-4), with molecular formula C22H23ClN2O4 and molecular weight 414.13 g/mol. IUPAC: propan-2-yl 4-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
Chemical Property Profile of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
Property Insights of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
The XLogP value of 4.20522 indicates that isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}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 isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The CAS number of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is 713081-08-4.
What is the molecular formula of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The molecular formula of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is C22H23ClN2O4.
What is the molecular weight of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The molecular weight of isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is 414.13 g/mol.
Where can I buy isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
You can request a quote for isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-({[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.