![4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol structure](/static/products/2967/296790-98-2.webp)
4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol
TL;DR: 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol (CAS 296790-98-2) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenol
Also Known As: 4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol, BAS 03712428, 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenol, 3-((4-Hydroxy-5-isopropyl-2-methylphenyl)amino)benzo[d]isothiazole 1,1-dioxide, 3-{[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]amino}-1??,2-benzothiazole-1,1-dione
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.38502 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 915.4309 |
Chemical Identifiers
| CAS Number | 296790-98-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C)O |
Product Overview
4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol (CAS 296790-98-2), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenol.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol
Property Insights of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol
The XLogP value of 3.38502 indicates that 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol has 2 hydrogen bond donor(s) and 4 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-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol?
The CAS number of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol is 296790-98-2.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol is C17H18N2O3S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol is 330.10 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-2-isopropyl-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.