![4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol structure](/static/products/3140/314036-10-7.webp)
4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol
TL;DR: 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol (CAS 314036-10-7) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 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)-methylamino]phenol
Also Known As: 4-[(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)(METHYL)AMINO]PHENOL, BAS 01367691, 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenol, 3-((4-Hydroxyphenyl)(methyl)amino)benzo[d]isothiazole 1,1-dioxide, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenol
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 314036-10-7 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)O)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | KUHQJTISYAFYHN-UHFFFAOYSA-N |
Product Overview
4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol (CAS 314036-10-7), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenol.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol
Property Insights of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]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 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol?
The CAS number of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol is 314036-10-7.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol is C14H12N2O3S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol is 288.06 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)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)(methyl)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(methyl)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.