![4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid structure](/static/products/315/315671-31-9.png)
4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid
TL;DR: 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid (CAS 315671-31-9) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[acetyl(methyl)amino]anilino]-4-oxobutanoic acid
Also Known As: 4-({4-[acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid, 4-[4-[acetyl(methyl)amino]anilino]-4-oxobutanoic acid, 4-{4-[acetyl(methyl)amino]anilino}-4-oxobutanoic acid, 3-{N-[4-(N-methylacetylamino)phenyl]carbamoyl}propanoic acid, 3-{[4-(N-METHYLACETAMIDO)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 315671-31-9 |
|---|---|
| SMILES | CC(=O)N(C)C1=CC=C(C=C1)NC(=O)CCC(=O)O |
| InChIKey | KTVMWKWWLLJDHZ-UHFFFAOYSA-N |
Product Overview
4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid (CAS 315671-31-9), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: 4-[4-[acetyl(methyl)amino]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid
Property Insights of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid
The XLogP value of -0.1 indicates that 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-({4-[Acetyl(methyl)amino]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-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid?
The CAS number of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid is 315671-31-9.
What is the molecular formula of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid?
The molecular formula of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid is C13H16N2O4.
What is the molecular weight of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid?
The molecular weight of 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid is 264.11 g/mol.
Where can I buy 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid?
You can request a quote for 4-({4-[Acetyl(methyl)amino]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-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({4-[Acetyl(methyl)amino]phenyl}amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.