![4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid structure](/static/products/6945/694514-97-1.webp)
4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid
TL;DR: 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid (CAS 694514-97-1) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid
Also Known As: 4-[(4-azepan-1-ylphenyl)amino]-4-oxobutanoic acid, 3-{[4-(azepan-1-yl)phenyl]carbamoyl}propanoic acid, 4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid, 4-((4-(Azepan-1-yl)phenyl)amino)-4-oxobutanoic acid, 4-(4-Azepan-1-ylphenyl)amino-4-oxobutanoic acid
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 694514-97-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)O |
| InChIKey | QIQXSDGBZBAACD-UHFFFAOYSA-N |
Product Overview
4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid (CAS 694514-97-1), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: 4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid
Property Insights of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid has 2 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-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid is 694514-97-1.
What is the molecular formula of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid is C16H22N2O3.
What is the molecular weight of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid is 290.16 g/mol.
Where can I buy 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Azepan-1-ylphenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.