![4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid structure](/static/products/3125/312525-35-2.webp)
4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid
TL;DR: 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid (CAS 312525-35-2) 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.
4-[[3-(butanoylamino)benzoyl]amino]benzoic acid
Also Known As: 4-(3-butyramidobenzamido)benzoic acid, BIM-0039813.P001, 4-(3-BUTANAMIDOBENZAMIDO)BENZOIC ACID, 4-[[3-(butanoylamino)benzoyl]amino]benzoic acid, 4-{[3-(butyrylamino)benzoyl]amino}benzoic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 312525-35-2 |
|---|---|
| SMILES | CCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | YIQVNDVAIQZGFP-UHFFFAOYSA-N |
Product Overview
4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid (CAS 312525-35-2), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 4-[[3-(butanoylamino)benzoyl]amino]benzoic acid.
Chemical Property Profile of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid
Property Insights of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[3-(Butanoylamino)phenyl]carbonyl}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-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid?
The CAS number of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid is 312525-35-2.
What is the molecular formula of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid?
The molecular formula of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid is C18H18N2O4.
What is the molecular weight of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid?
The molecular weight of 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid is 326.13 g/mol.
Where can I buy 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid?
You can request a quote for 4-({[3-(Butanoylamino)phenyl]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 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[3-(Butanoylamino)phenyl]carbonyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.