![2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol structure](/static/products/4425/442571-99-5.webp)
2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol
TL;DR: 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol (CAS 442571-99-5) is a chemical compound with molecular formula C24H18N2O3S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-naphthalen-1-ylamino]methyl]phenol
Also Known As: 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol, Y-9997, 2-{[(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)(1-NAPHTHYL)AMINO]METHYL}PHENOL, 2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-naphthalen-1-ylamino]methyl]phenol, 2-{[(1,1-dioxido-1,2-benzisothiazol-3-yl)-(1-naphthyl)amino]methyl}phenol
| Molecular Formula | C24H18N2O3S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 4.7011 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.10382 |
| Heavy Atoms | 30 |
| Complexity | 1405.6694 |
Chemical Identifiers
| CAS Number | 442571-99-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N(CC3=CC=CC=C3O)C4=NS(=O)(=O)C5=CC=CC=C54 |
Product Overview
2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol (CAS 442571-99-5), with molecular formula C24H18N2O3S and molecular weight 414.10 g/mol. IUPAC: 2-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-naphthalen-1-ylamino]methyl]phenol.
Chemical Property Profile of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol
Property Insights of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol
The XLogP value of 4.7011 indicates that 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol. Following Lipinski's Rule of Five, 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol has 1 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 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol?
The CAS number of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol is 442571-99-5.
What is the molecular formula of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol?
The molecular formula of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol is C24H18N2O3S.
What is the molecular weight of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol?
The molecular weight of 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol is 414.10 g/mol.
Where can I buy 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol?
You can request a quote for 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-([(1,1-Dioxido-1,2-benzisothiazol-3-yl)(1-naphthyl)amino]methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.