N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine
TL;DR: N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine (CAS 1048005-56-6) is a chemical compound with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(2-cyanoanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
Also Known As: N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine, (2S)-3-[(2-cyanophenyl)carbamoyl]-2-(3-methoxypropylamino)propanoic Acid
| Molecular Formula | C15H19N3O4 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 0.96618 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.13754 |
| Heavy Atoms | 22 |
| Complexity | 553.9637 |
Chemical Identifiers
| CAS Number | 1048005-56-6 |
|---|---|
| SMILES | COCCCN[C@@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)O |
Product Overview
N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine (CAS 1048005-56-6), with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol. IUPAC: (2S)-4-(2-cyanoanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid.
Chemical Property Profile of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine
Property Insights of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine
The XLogP value of 0.96618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine. Following Lipinski's Rule of Five, N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-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 N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine?
The CAS number of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine is 1048005-56-6.
What is the molecular formula of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine?
The molecular formula of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine is C15H19N3O4.
What is the molecular weight of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine?
The molecular weight of N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine is 305.14 g/mol.
Where can I buy N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine?
You can request a quote for N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-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-(3-methoxypropyl)-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N4-(2-Cyanophenyl)-N2-(3-methoxypropyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.