3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid
TL;DR: 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid (CAS 1022919-76-1) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: BAS 05043633, N~2~-(furan-2-ylmethyl)-N-phenyl-alpha-asparagine, BRD-A21611134-001-01-3, 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid, 3-[(Furan-2-ylmethyl)-amino]-N-phenyl-succinamic acid
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 1.8512 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 580.9858 |
Chemical Identifiers
| CAS Number | 1022919-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CO2 |
Product Overview
3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid (CAS 1022919-76-1), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: 4-anilino-3-(furan-2-ylmethylamino)-4-oxobutanoic acid.
Chemical Property Profile of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid
Property Insights of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid
The XLogP value of 1.8512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid. Following Lipinski's Rule of Five, 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid has 3 hydrogen bond donor(s) and 4 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-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid?
The CAS number of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid is 1022919-76-1.
What is the molecular formula of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid?
The molecular formula of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid is C15H16N2O4.
What is the molecular weight of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid?
The molecular weight of 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid is 288.11 g/mol.
Where can I buy 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid?
You can request a quote for 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)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-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Furan-2-ylmethyl)amino)-4-oxo-4-(phenylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.