3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid
TL;DR: 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid (CAS 95426-98-5) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-4-(3-methylanilino)-4-oxobutanoic acid
Also Known As: 3-(benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid, 3-(benzylamino)-4-(3-methylanilino)-4-oxobutanoic acid, 3-(benzylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate, 3-(benzylamino)-3-[(3-methylphenyl)carbamoyl]propanoic Acid
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 2.56662 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 670.97675 |
Chemical Identifiers
| CAS Number | 95426-98-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2 |
Product Overview
3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid (CAS 95426-98-5), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 3-(benzylamino)-4-(3-methylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid
Property Insights of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid
The XLogP value of 2.56662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid. Following Lipinski's Rule of Five, 3-(Benzylamino)-4-oxo-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 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid?
The CAS number of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid is 95426-98-5.
What is the molecular formula of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular formula of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid is C18H20N2O3.
What is the molecular weight of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular weight of 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid is 312.15 g/mol.
Where can I buy 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid?
You can request a quote for 3-(Benzylamino)-4-oxo-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 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-4-oxo-4-(m-tolylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.