N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine
TL;DR: N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine (CAS 1043446-27-0) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethylamino)-4-(N-methylanilino)-4-oxobutanoic acid
Also Known As: N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine, 3-(2-furylmethylamino)-3-(methyl-phenyl-carbamoyl)propanoic Acid, 3-(furan-2-ylmethylamino)-4-(N-methylanilino)-4-oxobutanoic acid, 3-((furan-2-ylmethyl)amino)-4-(methyl(phenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.8755 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 610.34076 |
Chemical Identifiers
| CAS Number | 1043446-27-0 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)C(CC(=O)O)NCC2=CC=CO2 |
Product Overview
N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine (CAS 1043446-27-0), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 3-(furan-2-ylmethylamino)-4-(N-methylanilino)-4-oxobutanoic acid.
Chemical Property Profile of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine
Property Insights of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine
The XLogP value of 1.8755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine has 2 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 N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine?
The CAS number of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine is 1043446-27-0.
What is the molecular formula of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine?
The molecular formula of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine is C16H18N2O4.
What is the molecular weight of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine?
The molecular weight of N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine is 302.13 g/mol.
Where can I buy N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine?
You can request a quote for N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-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-methyl-N-phenyl-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(furan-2-ylmethyl)-N-methyl-N-phenyl-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.