![4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid structure](/static/products/3135/313554-97-1.webp)
4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid (CAS 313554-97-1) is a chemical compound with molecular formula C15H19NO5 and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-butoxycarbonylanilino)-4-oxobutanoic acid
Also Known As: 4-(3-butoxycarbonylanilino)-4-oxobutanoic acid, 4-{[3-(butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid, 3-{N-[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid, 4-((3-(butoxycarbonyl)phenyl)amino)-4-oxobutanoic acid, 3-{[3-(BUTOXYCARBONYL)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C15H19NO5 |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 2.4468 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.1263 |
| Heavy Atoms | 21 |
| Complexity | 512.54034 |
Chemical Identifiers
| CAS Number | 313554-97-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)O |
Product Overview
4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid (CAS 313554-97-1), with molecular formula C15H19NO5 and molecular weight 293.13 g/mol. IUPAC: 4-(3-butoxycarbonylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid
The XLogP value of 2.4468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[3-(Butoxycarbonyl)phenyl]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-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid is 313554-97-1.
What is the molecular formula of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid is C15H19NO5.
What is the molecular weight of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid is 293.13 g/mol.
Where can I buy 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[3-(Butoxycarbonyl)phenyl]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-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(Butoxycarbonyl)phenyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.