N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide
TL;DR: N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide (CAS 438477-08-8) is a chemical compound with molecular formula C22H16ClNO and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-4-(2-phenylethynyl)benzamide
Also Known As: BIM-0035526.P001, N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide, N-[(4-chlorophenyl)methyl]-4-(2-phenylethynyl)benzamide
| Molecular Formula | C22H16ClNO |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 4.6698 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.09204 |
| Heavy Atoms | 25 |
| Complexity | 904.2411 |
Chemical Identifiers
| CAS Number | 438477-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl |
Product Overview
N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide (CAS 438477-08-8), with molecular formula C22H16ClNO and molecular weight 345.09 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-4-(2-phenylethynyl)benzamide.
Chemical Property Profile of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide
Property Insights of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide
The XLogP value of 4.6698 indicates that N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide has 1 hydrogen bond donor(s) and 1 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)-4-(phenylethynyl)benzamide?
The CAS number of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide is 438477-08-8.
What is the molecular formula of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide?
The molecular formula of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide is C22H16ClNO.
What is the molecular weight of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide?
The molecular weight of N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide is 345.09 g/mol.
Where can I buy N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide?
You can request a quote for N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide 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)-4-(phenylethynyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-4-(phenylethynyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.