N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 496038-18-7) 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-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, AP-853/41557958, N-(3,5-dimethylphenyl)-N-(1,1-dioxido-1,2-benzisothiazol-3-yl)amine, 3-[(3,5-DIMETHYLPHENYL)AMINO]-1??,2-BENZOTHIAZOLE-1,1-DIONE
| 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 | 2 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 496038-18-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)C |
| InChIKey | IWFSXVSDGKRWFX-UHFFFAOYSA-N |
Product Overview
N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 496038-18-7), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide 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-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 496038-18-7.
What is the molecular formula of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is C15H14N2O2S.
What is the molecular weight of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 286.08 g/mol.
Where can I buy N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.