4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid
TL;DR: 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid (CAS 314047-05-7) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-benzoyl-4-methylanilino)-4-oxobutanoic acid
Also Known As: BAS 00526168, 4-(2-benzoyl-4-methylanilino)-4-oxobutanoic acid, N-(2-Benzoyl-4-methyl-phenyl)-succinamic acid, AB00093601-01, 4-((2-benzoyl-4-methylphenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.02932 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 737.9417 |
Chemical Identifiers
| CAS Number | 314047-05-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CCC(=O)O)C(=O)C2=CC=CC=C2 |
Product Overview
4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid (CAS 314047-05-7), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 4-(2-benzoyl-4-methylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid
Property Insights of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid
The XLogP value of 3.02932 indicates that 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Benzoyl-4-methylanilino)-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-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid?
The CAS number of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid is 314047-05-7.
What is the molecular formula of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid is C18H17NO4.
What is the molecular weight of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid is 311.12 g/mol.
Where can I buy 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Benzoyl-4-methylanilino)-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-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Benzoyl-4-methylanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.