N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide
TL;DR: N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide (CAS 328288-13-7) is a chemical compound with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-cyano-3-(4-methoxyanilino)propanamide
Also Known As: TimTec1_001274, N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide, N-[(4-chlorophenyl)methyl]-2-cyano-3-[(4-methoxyphenyl)amino]propanamide, N-[(4-chlorophenyl)methyl]-2-cyano-3-(4-methoxyanilino)propanamide, BRD-A32742632-001-01-0
| Molecular Formula | C18H18ClN3O2 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 3.21668 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.10876 |
| Heavy Atoms | 24 |
| Complexity | 708.5389 |
Chemical Identifiers
| CAS Number | 328288-13-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC(C#N)C(=O)NCC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide (CAS 328288-13-7), with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-cyano-3-(4-methoxyanilino)propanamide.
Chemical Property Profile of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide
Property Insights of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide
The XLogP value of 3.21668 indicates that N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide 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-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide?
The CAS number of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide is 328288-13-7.
What is the molecular formula of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide?
The molecular formula of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide is C18H18ClN3O2.
What is the molecular weight of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide?
The molecular weight of N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide is 343.11 g/mol.
Where can I buy N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide?
You can request a quote for N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-2-cyano-3-(4-methoxyanilino)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.