N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine
TL;DR: N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine (CAS 1042693-05-9) 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-(4-nitroanilino)-4-oxobutanoic acid
Also Known As: N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine, 3-((Furan-2-ylmethyl)amino)-4-((4-nitrophenyl)amino)-4-oxobutanoic acid, 3-{[(furan-2-yl)methyl]amino}-3-[(4-nitrophenyl)carbamoyl]propanoic acid, 3-(furan-2-ylmethylamino)-4-(4-nitroanilino)-4-oxobutanoic acid, 3-(2-furylmethylamino)-4-(4-nitroanilino)-4-oxo-butanoic 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 | 711.32043 |
Chemical Identifiers
| CAS Number | 1042693-05-9 |
|---|---|
| SMILES | C1=COC(=C1)CNC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine (CAS 1042693-05-9), with molecular formula C15H15N3O6 and molecular weight 333.10 g/mol. IUPAC: 3-(furan-2-ylmethylamino)-4-(4-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine
Property Insights of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine
The XLogP value of 1.7594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine. The TPSA of 134.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine 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 N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine?
The CAS number of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine is 1042693-05-9.
What is the molecular formula of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine?
The molecular formula of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine is C15H15N3O6.
What is the molecular weight of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine?
The molecular weight of N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine is 333.10 g/mol.
Where can I buy N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine?
You can request a quote for N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(furan-2-ylmethyl)-N-(4-nitrophenyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.