N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide
TL;DR: N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide (CAS 941986-02-3) is a chemical compound with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Also Known As: F2036-0399, N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide, N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide, N-[4-chloro-3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide, 2-[2-chloro-5-(3-nitro-2-toluoylamino)phenyl]-1-oxo-1lambda-tetrahydro-1H-isothiazol-1-ium-1-olate
| Molecular Formula | C17H16ClN3O5S |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 3.34882 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.04993 |
| Heavy Atoms | 27 |
| Complexity | 1038.8595 |
Chemical Identifiers
| CAS Number | 941986-02-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)N3CCCS3(=O)=O |
Product Overview
N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide (CAS 941986-02-3), with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol. IUPAC: N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide
Property Insights of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide
The XLogP value of 3.34882 indicates that N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide has 1 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-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide?
The CAS number of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide is 941986-02-3.
What is the molecular formula of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide is C17H16ClN3O5S.
What is the molecular weight of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide is 409.05 g/mol.
Where can I buy N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-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-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.