N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
TL;DR: N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide (CAS 577996-11-3) 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-benzyl-4-chloro-N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
Also Known As: N-benzyl-4-chloro-N-(1,1-dioxo-1, N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide, N-benzyl-4-chloro-N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide, N-Benzyl-4-chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-nitro-benzamide
| 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 | 978.5014 |
Chemical Identifiers
| CAS Number | 577996-11-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide (CAS 577996-11-3), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: N-benzyl-4-chloro-N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide.
Chemical Property Profile of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
Property Insights of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
The XLogP value of 3.0777 indicates that N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-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 N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-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 N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide?
The CAS number of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide is 577996-11-3.
What is the molecular formula of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide?
The molecular formula of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide is C18H17ClN2O5S.
What is the molecular weight of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide?
The molecular weight of N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide is 408.05 g/mol.
Where can I buy N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide?
You can request a quote for N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.