![4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol structure](/static/products/4332/433254-23-0.webp)
4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol
TL;DR: 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol (CAS 433254-23-0) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 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)-[(4-methoxyphenyl)methyl]amino]phenol
Also Known As: 4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol, Y-9992, AP-853/40957048, 3-((4-Hydroxyphenyl)(4-methoxybenzyl)amino)benzo[d]isothiazole 1,1-dioxide, 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenol
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.5565 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1137.783 |
Chemical Identifiers
| CAS Number | 433254-23-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)O)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol (CAS 433254-23-0), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenol.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol
Property Insights of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol
The XLogP value of 3.5565 indicates that 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol has 1 hydrogen bond donor(s) and 5 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)(4-methoxybenzyl)amino]phenol?
The CAS number of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol is 433254-23-0.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol is C21H18N2O4S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol is 394.10 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol 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)(4-methoxybenzyl)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)(4-methoxybenzyl)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.