2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
TL;DR: 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid (CAS 1026766-84-6) is a chemical compound with molecular formula C20H25N3O3 and molecular weight 355.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(benzylamino)ethylamino]-4-(3-methylanilino)-4-oxobutanoic acid
Also Known As: VU0512769-1, 2-((2-(benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid, 2-[2-(benzylamino)ethylamino]-4-(3-methylanilino)-4-oxobutanoic acid, F3177-0041, 2-{[2-(BENZYLAMINO)ETHYL]AMINO}-3-[(3-METHYLPHENYL)CARBAMOYL]PROPANOIC ACID
Technical Specifications
| Molecular Formula | C20H25N3O3 |
| Molecular Weight | 355.1896 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 355.1896 Da |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCCNCC2=CC=CC=C2 |
| InChIKey | SVUMEIXLTPMYHZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
Property Insights of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
The XLogP value of -0.1 indicates that 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid. Following Lipinski's Rule of Five, 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The CAS number of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is 1026766-84-6.
What is the molecular formula of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular formula of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is C20H25N3O3.
What is the molecular weight of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular weight of 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is 355.1896 g/mol.
Where can I buy 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
You can request a quote for 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((2-(Benzylamino)ethyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.