N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
TL;DR: N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine (CAS 1022917-31-2) is a chemical compound with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine, 3-[(4-chlorophenyl)carbamoyl]-3-{[(furan-2-yl)methyl]amino}propanoic acid, 4-((4-Chlorophenyl)amino)-3-((furan-2-ylmethyl)amino)-4-oxobutanoic acid, 4-(4-chloroanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid, 3-[(4-chlorophenyl)carbamoyl]-3-(2-furylmethylamino)propanoic Acid
| Molecular Formula | C15H15ClN2O4 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 2.5046 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.07202 |
| Heavy Atoms | 22 |
| Complexity | 625.50183 |
Chemical Identifiers
| CAS Number | 1022917-31-2 |
|---|---|
| SMILES | C1=COC(=C1)CNC(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine (CAS 1022917-31-2), with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol. IUPAC: 4-(4-chloroanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid.
Chemical Property Profile of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
Property Insights of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
The XLogP value of 2.5046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine 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 N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The CAS number of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 1022917-31-2.
What is the molecular formula of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular formula of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is C15H15ClN2O4.
What is the molecular weight of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular weight of N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 322.07 g/mol.
Where can I buy N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
You can request a quote for N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-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-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.