N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine
TL;DR: N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine (CAS 1047678-65-8) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(2-cyanoanilino)-4-oxo-2-(pentylamino)butanoic acid
Also Known As: N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine, (2R)-3-[(2-cyanophenyl)carbamoyl]-2-(pentylamino)propanoic Acid
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 2.11988 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 551.8122 |
Chemical Identifiers
| CAS Number | 1047678-65-8 |
|---|---|
| SMILES | CCCCCN[C@@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)O |
Product Overview
N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine (CAS 1047678-65-8), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: (2S)-4-(2-cyanoanilino)-4-oxo-2-(pentylamino)butanoic acid.
Chemical Property Profile of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine
Property Insights of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine
The XLogP value of 2.11988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine. Following Lipinski's Rule of Five, N4-(2-Cyanophenyl)-N2-pentyl-L-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 N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine?
The CAS number of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine is 1047678-65-8.
What is the molecular formula of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine?
The molecular formula of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine is C16H21N3O3.
What is the molecular weight of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine?
The molecular weight of N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine is 303.16 g/mol.
Where can I buy N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine?
You can request a quote for N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N4-(2-Cyanophenyl)-N2-pentyl-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.