4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 577989-71-0) is a chemical compound with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxybenzamide
Also Known As: 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, F1673-5985, N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxybenzamide, N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-(prop-2-en-1-yloxy)benzamide, N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide
| Molecular Formula | C21H22ClNO4S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.7343 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.0958 |
| Heavy Atoms | 28 |
| Complexity | 956.6258 |
Chemical Identifiers
| CAS Number | 577989-71-0 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3 |
Product Overview
4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 577989-71-0), with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxybenzamide.
Chemical Property Profile of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 3.7343 indicates that 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)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-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide. Following Lipinski's Rule of Five, 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)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-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 577989-71-0.
What is the molecular formula of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C21H22ClNO4S.
What is the molecular weight of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 419.10 g/mol.
Where can I buy 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 4-(allyloxy)-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-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(allyloxy)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.