N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
TL;DR: N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine (CAS 1024019-78-0) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine, 3-[(2-cyanophenyl)carbamoyl]-3-(2-furylmethylamino)propanoic Acid, 4-(2-cyanoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid, 4-((2-cyanophenyl)amino)-3-((furan-2-ylmethyl)amino)-4-oxobutanoic acid, 3-[(2-CYANOPHENYL)CARBAMOYL]-3-[(FURAN-2-YLMETHYL)AMINO]PROPANOIC ACID
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.72288 |
| Topological Polar Surface Area | 115.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 719.17664 |
Chemical Identifiers
| CAS Number | 1024019-78-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)C(CC(=O)O)NCC2=CC=CO2 |
Product Overview
N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine (CAS 1024019-78-0), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: 4-(2-cyanoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid.
Chemical Property Profile of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
Property Insights of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
The XLogP value of 1.72288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine. The TPSA of 115.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine. Following Lipinski's Rule of Five, N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine has 3 hydrogen bond donor(s) and 5 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-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The CAS number of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 1024019-78-0.
What is the molecular formula of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular formula of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is C16H15N3O4.
What is the molecular weight of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular weight of N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 313.11 g/mol.
Where can I buy N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
You can request a quote for N-(2-cyanophenyl)-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-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.