![3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid structure](/static/products/7130/713081-84-6.webp)
3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
TL;DR: 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (CAS 713081-84-6) is a chemical compound with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
Also Known As: 3-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid, 3-({[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoic acid, 3-(1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamido)benzoic acid
| Molecular Formula | C18H15BrN2O4 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 3.1389 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0215 |
| Heavy Atoms | 25 |
| Complexity | 835.2246 |
Chemical Identifiers
| CAS Number | 713081-84-6 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (CAS 713081-84-6), with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol. IUPAC: 3-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
Property Insights of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
The XLogP value of 3.1389 indicates that 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 3 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 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The CAS number of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is 713081-84-6.
What is the molecular formula of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The molecular formula of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is C18H15BrN2O4.
What is the molecular weight of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The molecular weight of 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is 402.02 g/mol.
Where can I buy 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
You can request a quote for 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(4-Bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.