4-(Diphenylamino)-4-oxobutanoic acid
TL;DR: 4-(Diphenylamino)-4-oxobutanoic acid (CAS 77778-94-0) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(N-phenylanilino)butanoic acid
Also Known As: 4-(diphenylamino)-4-oxobutanoic acid, CBKinase1_004613, CBKinase1_017013, 4-oxo-4-(N-phenylanilino)butanoic acid, 3-(diphenylcarbamoyl)propanoic Acid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.2161 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 541.68567 |
Chemical Identifiers
| CAS Number | 77778-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CCC(=O)O |
Product Overview
4-(Diphenylamino)-4-oxobutanoic acid (CAS 77778-94-0), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 4-oxo-4-(N-phenylanilino)butanoic acid.
Chemical Property Profile of 4-(Diphenylamino)-4-oxobutanoic acid
Property Insights of 4-(Diphenylamino)-4-oxobutanoic acid
The XLogP value of 3.2161 indicates that 4-(Diphenylamino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 4-(Diphenylamino)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diphenylamino)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 2 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-(Diphenylamino)-4-oxobutanoic acid?
The CAS number of 4-(Diphenylamino)-4-oxobutanoic acid is 77778-94-0.
What is the molecular formula of 4-(Diphenylamino)-4-oxobutanoic acid?
The molecular formula of 4-(Diphenylamino)-4-oxobutanoic acid is C16H15NO3.
What is the molecular weight of 4-(Diphenylamino)-4-oxobutanoic acid?
The molecular weight of 4-(Diphenylamino)-4-oxobutanoic acid is 269.11 g/mol.
Where can I buy 4-(Diphenylamino)-4-oxobutanoic acid?
You can request a quote for 4-(Diphenylamino)-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-(Diphenylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diphenylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.