![Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate structure](/static/products/7130/713081-94-8.webp)
Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
TL;DR: Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate (CAS 713081-94-8) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
Also Known As: methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate, methyl 4-[[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate, methyl 4-({[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate, methyl 4-(1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamido)benzoate
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.08164 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 889.5547 |
Chemical Identifiers
| CAS Number | 713081-94-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate (CAS 713081-94-8), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: methyl 4-[[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
Property Insights of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate
The XLogP value of 3.08164 indicates that Methyl 4-({[1-(2,5-dimethylphenyl)-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 Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[1-(2,5-dimethylphenyl)-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 Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The CAS number of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is 713081-94-8.
What is the molecular formula of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The molecular formula of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is C21H22N2O4.
What is the molecular weight of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
The molecular weight of Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate is 366.16 g/mol.
Where can I buy Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
You can request a quote for Methyl 4-({[1-(2,5-dimethylphenyl)-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 Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.