![3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol structure](/static/products/3400/340028-29-7.webp)
3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol
TL;DR: 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol (CAS 340028-29-7) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol
Also Known As: 3-[(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)AMINO]PHENOL, 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol, 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenol, BAS 01907266, 3-((3-Hydroxyphenyl)amino)benzo[d]isothiazole 1,1-dioxide
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 340028-29-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)O |
| InChIKey | RNRPCULUYYYBCW-UHFFFAOYSA-N |
Product Overview
3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol (CAS 340028-29-7), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol.
Chemical Property Profile of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol
Property Insights of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol. Following Lipinski's Rule of Five, 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol 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 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol?
The CAS number of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol is 340028-29-7.
What is the molecular formula of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol?
The molecular formula of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol is C13H10N2O3S.
What is the molecular weight of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol?
The molecular weight of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol is 274.04 g/mol.
Where can I buy 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol?
You can request a quote for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.