4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620558-19-2) is a chemical compound with molecular formula C22H26ClNO3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, F1673-3859, 4-tert-butyl-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, 4-tert-butyl-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
| Molecular Formula | C22H26ClNO3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.467 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1322 |
| Heavy Atoms | 28 |
| Complexity | 962.02155 |
Chemical Identifiers
| CAS Number | 620558-19-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3 |
Product Overview
4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620558-19-2), with molecular formula C22H26ClNO3S and molecular weight 419.13 g/mol. IUPAC: 4-tert-butyl-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 4.467 indicates that 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide has 0 hydrogen bond donor(s) and 3 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-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 620558-19-2.
What is the molecular formula of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C22H26ClNO3S.
What is the molecular weight of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 419.13 g/mol.
Where can I buy 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.