![2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid structure](/static/products/2948/294891-76-2.webp)
2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid
TL;DR: 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid (CAS 294891-76-2) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
Also Known As: 2-(4-isobutyramidobenzamido)benzoic acid, BIM-0001458.P001, 2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid, 2-[({4-[(2-methylpropanoyl)amino]phenyl}carbonyl)amino]benzoic acid, 2-{[4-(2-methylpropanoylamino)phenyl]carbonylamino}benzoic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 294891-76-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | KERDHFVYBIIJMS-UHFFFAOYSA-N |
Product Overview
2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid (CAS 294891-76-2), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid
Property Insights of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid
The XLogP value of 3.8 indicates that 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid has 3 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 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid?
The CAS number of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid is 294891-76-2.
What is the molecular formula of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid?
The molecular formula of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid is C18H18N2O4.
What is the molecular weight of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid?
The molecular weight of 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid is 326.13 g/mol.
Where can I buy 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid?
You can request a quote for 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-Methylpropanoylamino)phenyl]carbonylamino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.