N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 311317-94-9) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, N-(2-ethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, 3-((2-Ethylphenyl)amino)benzo[d]isothiazole 1,1-dioxide, A1230/0056683, N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N-(2-ethylphenyl)amine
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 311317-94-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | JCQMGFOJIWERFA-UHFFFAOYSA-N |
Product Overview
N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 311317-94-9), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-ethylphenyl)-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-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, N-(2-ethylphenyl)-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-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 311317-94-9.
What is the molecular formula of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C15H14N2O2S.
What is the molecular weight of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 286.08 g/mol.
Where can I buy N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(2-ethylphenyl)-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-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-ethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.