N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide
TL;DR: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide (CAS 620557-19-9) is a chemical compound with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide
Also Known As: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide, N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 3.0777 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 958.2514 |
Chemical Identifiers
| CAS Number | 620557-19-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide (CAS 620557-19-9), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide
Property Insights of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide
The XLogP value of 3.0777 indicates that N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide has 0 hydrogen bond donor(s) and 5 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)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide?
The CAS number of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide is 620557-19-9.
What is the molecular formula of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide?
The molecular formula of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide is C18H17ClN2O5S.
What is the molecular weight of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide?
The molecular weight of N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide is 408.05 g/mol.
Where can I buy N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide?
You can request a quote for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide 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)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.