Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-
TL;DR: Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- (CAS 63665-75-8) is a chemical compound with molecular formula C21H19NO4S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2H-1,2-benzothiazol-3-yl]-2-methylphenol
Also Known As: Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis(2-methyl-, Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-, 4,4'-(1,1-dioxido-2,3-dihydro-1,2-benzothiazole-3,3-diyl)bis(2-methylphenol), 3,3-Bis(4-hydroxy-3-methylphenyl)-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione, 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2H-1,2-benzothiazol-3-yl]-2-methylphenol
| Molecular Formula | C21H19NO4S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.1035 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 63665-75-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)N2)C4=CC(=C(C=C4)O)C)O |
| InChIKey | KSFXYPHFWHJVGG-UHFFFAOYSA-N |
Product Overview
Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- (CAS 63665-75-8), with molecular formula C21H19NO4S and molecular weight 381.10 g/mol. IUPAC: 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2H-1,2-benzothiazol-3-yl]-2-methylphenol.
Chemical Property Profile of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-
Property Insights of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-
The XLogP value of 3.7 indicates that Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-. Following Lipinski's Rule of Five, Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- has 3 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 Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-?
The CAS number of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- is 63665-75-8.
What is the molecular formula of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-?
The molecular formula of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- is C21H19NO4S.
What is the molecular weight of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-?
The molecular weight of Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- is 381.10 g/mol.
Where can I buy Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-?
You can request a quote for Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.