![2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol structure](/static/products/2967/296791-04-3.webp)
2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol
TL;DR: 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol (CAS 296791-04-3) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylaminomethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol
Also Known As: BAS 02519540, 2-[(diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol, BIM-0035002.P001, 3-((3-((Diethylamino)methyl)-4-hydroxyphenyl)amino)benzo[d]isothiazole 1,1-dioxide, 2-(diethylaminomethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.795 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 918.9136 |
Chemical Identifiers
| CAS Number | 296791-04-3 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)O |
Product Overview
2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol (CAS 296791-04-3), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 2-(diethylaminomethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenol.
Chemical Property Profile of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol
Property Insights of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol
The XLogP value of 2.795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol. Following Lipinski's Rule of Five, 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol has 2 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 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol?
The CAS number of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol is 296791-04-3.
What is the molecular formula of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol?
The molecular formula of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol is C18H21N3O3S.
What is the molecular weight of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol?
The molecular weight of 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol is 359.13 g/mol.
Where can I buy 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol?
You can request a quote for 2-[(Diethylamino)methyl]-4-[(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 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.