4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline
TL;DR: 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline (CAS 494776-93-1) is a chemical compound with molecular formula C9H11ClN2O2S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
Also Known As: 4-CHLORO-3-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)ANILINE, 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline, 2-(5-amino-2-chlorophenyl)-1lambda6,2-thiazolidine-1,1-dione, 2-(3-amino-6-chlorophenyl)-1,2-thiazolidine-1,1-dione, 2-(5-amino-2-chlorophenyl)-1$l^{6},2-thiazolidine-1,1-dione
| Molecular Formula | C9H11ClN2O2S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 1.4621 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.02298 |
| Heavy Atoms | 15 |
| Complexity | 486.88574 |
Chemical Identifiers
| CAS Number | 494776-93-1 |
|---|---|
| SMILES | C1CN(S(=O)(=O)C1)C2=C(C=CC(=C2)N)Cl |
Product Overview
4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline (CAS 494776-93-1), with molecular formula C9H11ClN2O2S and molecular weight 246.02 g/mol. IUPAC: 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline.
Chemical Property Profile of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline
Property Insights of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline
The XLogP value of 1.4621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline. Following Lipinski's Rule of Five, 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline has 1 hydrogen bond donor(s) and 3 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-3-(1,1-dioxidoisothiazolidin-2-YL)aniline?
The CAS number of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline is 494776-93-1.
What is the molecular formula of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline?
The molecular formula of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline is C9H11ClN2O2S.
What is the molecular weight of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline?
The molecular weight of 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline is 246.02 g/mol.
Where can I buy 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline?
You can request a quote for 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(1,1-dioxidoisothiazolidin-2-YL)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.