![4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide structure](/static/products/462/462601-99-6.png)
4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
TL;DR: 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 462601-99-6) is a chemical compound with molecular formula C24H21ClN2O3S and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methoxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
Also Known As: 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide, 4-[(4-chlorophenyl)methoxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide, 4-((4-chlorobenzyl)oxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-methoxybenzamide, 4-[(4-chlorophenyl)methoxy]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methoxy-benzamide
| Molecular Formula | C24H21ClN2O3S |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 5.99188 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.09613 |
| Heavy Atoms | 31 |
| Complexity | 1148.8665 |
Chemical Identifiers
| CAS Number | 462601-99-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=C(C=C4)Cl |
Product Overview
4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide (CAS 462601-99-6), with molecular formula C24H21ClN2O3S and molecular weight 452.10 g/mol. IUPAC: 4-[(4-chlorophenyl)methoxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide.
Chemical Property Profile of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
Property Insights of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide
The XLogP value of 5.99188 indicates that 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide. Following Lipinski's Rule of Five, 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The CAS number of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 462601-99-6.
What is the molecular formula of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular formula of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is C24H21ClN2O3S.
What is the molecular weight of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
The molecular weight of 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide is 452.10 g/mol.
Where can I buy 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
You can request a quote for 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.