N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 108666-49-5) is a chemical compound with molecular formula C13H9ClN2O2S and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, BAS 00398433, N-(2-chlorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, AP-853/40054514, N-(2-chlorophenyl)-N-(1,1-dioxido-1,2-benzisothiazol-3-yl)amine
| Molecular Formula | C13H9ClN2O2S |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.00732 |
| Heavy Atoms | 19 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 108666-49-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=CC=C3Cl |
| InChIKey | VARRJZAEZGCMON-UHFFFAOYSA-N |
Product Overview
N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 108666-49-5), with molecular formula C13H9ClN2O2S and molecular weight 292.01 g/mol. IUPAC: N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine 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 N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 108666-49-5.
What is the molecular formula of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C13H9ClN2O2S.
What is the molecular weight of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 292.01 g/mol.
Where can I buy N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.