4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
TL;DR: 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide (CAS 577697-98-4) is a chemical compound with molecular formula C22H26ClNO4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide, AF-399/42093073, 4-butoxy-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide, 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
| Molecular Formula | C22H26ClNO4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.3484 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1271 |
| Heavy Atoms | 29 |
| Complexity | 926.28955 |
Chemical Identifiers
| CAS Number | 577697-98-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)Cl)C3CCS(=O)(=O)C3 |
Product Overview
4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide (CAS 577697-98-4), with molecular formula C22H26ClNO4S and molecular weight 435.13 g/mol. IUPAC: 4-butoxy-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
Property Insights of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
The XLogP value of 4.3484 indicates that 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide. Following Lipinski's Rule of Five, 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide has 0 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 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The CAS number of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is 577697-98-4.
What is the molecular formula of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The molecular formula of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is C22H26ClNO4S.
What is the molecular weight of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The molecular weight of 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is 435.13 g/mol.
Where can I buy 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
You can request a quote for 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.