![4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid structure](/static/products/858/858752-95-1.png)
4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid
TL;DR: 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid (CAS 858752-95-1) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-acetylanilino)-4-oxobutanoic acid
Also Known As: 4-[(3-acetylphenyl)amino]-4-oxobutanoic acid, 4-(3-acetylanilino)-4-oxobutanoic acid, N-(3-Acetyl-phenyl)-succinamic acid, 3-[(3-acetylphenyl)carbamoyl]propanoic acid, BAS 00632325
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 858752-95-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)O |
| InChIKey | NORCWPAHFOSSOP-UHFFFAOYSA-N |
Product Overview
4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid (CAS 858752-95-1), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-(3-acetylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid
Property Insights of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(3-Acetylphenyl)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-Acetylphenyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid is 858752-95-1.
What is the molecular formula of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid is C12H13NO4.
What is the molecular weight of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid is 235.08 g/mol.
Where can I buy 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(3-Acetylphenyl)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-Acetylphenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Acetylphenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.