4-(3-Acetamidophenyl)-4-oxobutanoic acid
TL;DR: 4-(3-Acetamidophenyl)-4-oxobutanoic acid (CAS 14714-31-9) 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-acetamidophenyl)-4-oxobutanoic acid
Also Known As: 4-(3-acetamidophenyl)-4-oxobutanoic acid, Maybridge3_007607, IDI1_018994, 4-[3-(acetylamino)phenyl]-4-oxobutanoic acid, beta-(3-Acetylamino-benzoyl)-propionsaeure
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.6925 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 453.5738 |
Chemical Identifiers
| CAS Number | 14714-31-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)CCC(=O)O |
Product Overview
4-(3-Acetamidophenyl)-4-oxobutanoic acid (CAS 14714-31-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-(3-acetamidophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Acetamidophenyl)-4-oxobutanoic acid
Property Insights of 4-(3-Acetamidophenyl)-4-oxobutanoic acid
The XLogP value of 1.6925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Acetamidophenyl)-4-oxobutanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Acetamidophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Acetamidophenyl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 3 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-Acetamidophenyl)-4-oxobutanoic acid?
The CAS number of 4-(3-Acetamidophenyl)-4-oxobutanoic acid is 14714-31-9.
What is the molecular formula of 4-(3-Acetamidophenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3-Acetamidophenyl)-4-oxobutanoic acid is C12H13NO4.
What is the molecular weight of 4-(3-Acetamidophenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3-Acetamidophenyl)-4-oxobutanoic acid is 235.08 g/mol.
Where can I buy 4-(3-Acetamidophenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3-Acetamidophenyl)-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-Acetamidophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Acetamidophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.