4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide
TL;DR: 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide (CAS 714919-60-5) is a chemical compound with molecular formula C18H16ClFN2O5S and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
Also Known As: 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide, 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-nitro-benzamide, 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide, 4-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-(4-fluoro-benzyl)-3-nitro-benzamide, 4-CHLORO-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-N-[(4-FLUOROPHENYL)METHYL]-3-NITROBENZAMIDE
| Molecular Formula | C18H16ClFN2O5S |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 3.2168 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.04526 |
| Heavy Atoms | 28 |
| Complexity | 1026.7715 |
Chemical Identifiers
| CAS Number | 714919-60-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide (CAS 714919-60-5), with molecular formula C18H16ClFN2O5S and molecular weight 426.05 g/mol. IUPAC: 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide
Property Insights of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide
The XLogP value of 3.2168 indicates that 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-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 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-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 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide?
The CAS number of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide is 714919-60-5.
What is the molecular formula of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide is C18H16ClFN2O5S.
What is the molecular weight of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide is 426.05 g/mol.
Where can I buy 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.