4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid
TL;DR: 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid (CAS 1031371-05-7) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Also Known As: 4-oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid, AF-399/15540032, F1124-0055, 4-(3-methylanilino)-4-oxo-2-(phenethylamino)butanoic acid, 4-(3-methylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.60912 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 686.02106 |
Chemical Identifiers
| CAS Number | 1031371-05-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2 |
Product Overview
4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid (CAS 1031371-05-7), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: 4-(3-methylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid.
Chemical Property Profile of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid
Property Insights of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid
The XLogP value of 2.60912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid has 3 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-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid?
The CAS number of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid is 1031371-05-7.
What is the molecular formula of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid?
The molecular formula of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid is C19H22N2O3.
What is the molecular weight of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid?
The molecular weight of 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid is 326.16 g/mol.
Where can I buy 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid?
You can request a quote for 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-2-(phenethylamino)-4-(m-tolylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.