3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one
TL;DR: 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one (CAS 66102-90-7) is a chemical compound with molecular formula C16H22O4S and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-5,5-dimethylcyclohex-2-en-1-one
Also Known As: J1.720.840C, 3,3'-dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one, 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-5,5-dimethyl-, 2,2'-Sulfanediylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one), 3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C16H22O4S |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 4.037 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.12387 |
| Heavy Atoms | 21 |
| Complexity | 516.82605 |
Chemical Identifiers
| CAS Number | 66102-90-7 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)SC2=C(CC(CC2=O)(C)C)O)O)C |
Product Overview
3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one (CAS 66102-90-7), with molecular formula C16H22O4S and molecular weight 310.12 g/mol. IUPAC: 3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one
Property Insights of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one
The XLogP value of 4.037 indicates that 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one. Following Lipinski's Rule of Five, 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one 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 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one?
The CAS number of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one is 66102-90-7.
What is the molecular formula of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one?
The molecular formula of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one is C16H22O4S.
What is the molecular weight of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one?
The molecular weight of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one is 310.12 g/mol.
Where can I buy 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one?
You can request a quote for 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.