![4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid structure](/static/products/3816/381671-64-3.webp)
4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid
TL;DR: 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid (CAS 381671-64-3) 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.
4-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
Also Known As: 4-(3-isobutyramidobenzamido)benzoic acid, 4-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoic acid, A2462/0104484, 4-[3-(2-METHYLPROPANAMIDO)BENZAMIDO]BENZOIC ACID, 4-[({3-[(2-methylpropanoyl)amino]phenyl}carbonyl)amino]benzoic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.5 |
| 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 | 381671-64-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | VDVFCUWNCMDHJU-UHFFFAOYSA-N |
Product Overview
4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid (CAS 381671-64-3), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 4-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid
Property Insights of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]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 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid?
The CAS number of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid is 381671-64-3.
What is the molecular formula of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid?
The molecular formula of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid is C18H18N2O4.
What is the molecular weight of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid?
The molecular weight of 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid is 326.13 g/mol.
Where can I buy 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid?
You can request a quote for 4-[[3-(2-Methylpropanoylamino)benzoyl]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 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-(2-Methylpropanoylamino)benzoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.