3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
TL;DR: 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid (CAS 1025762-46-2) is a chemical compound with molecular formula C15H15N3O6 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid, N~2~-(furan-2-ylmethyl)-N-(3-nitrophenyl)-alpha-asparagine, 3-(2-furylmethylamino)-3-[(3-nitrophenyl)carbamoyl]propanoic Acid, 3-(furan-2-ylmethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
| Molecular Formula | C15H15N3O6 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 1.7594 |
| Topological Polar Surface Area | 134.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.0961 |
| Heavy Atoms | 24 |
| Complexity | 728.57043 |
Chemical Identifiers
| CAS Number | 1025762-46-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(CC(=O)O)NCC2=CC=CO2 |
Product Overview
3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid (CAS 1025762-46-2), with molecular formula C15H15N3O6 and molecular weight 333.10 g/mol. IUPAC: 3-(furan-2-ylmethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
Property Insights of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
The XLogP value of 1.7594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid. The TPSA of 134.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 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-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The CAS number of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is 1025762-46-2.
What is the molecular formula of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular formula of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is C15H15N3O6.
What is the molecular weight of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular weight of 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is 333.10 g/mol.
Where can I buy 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
You can request a quote for 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-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 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Furan-2-ylmethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.