2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-
TL;DR: 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- (CAS 105501-83-5) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-, NCI60_008803, 4-Methoxydithiobenzoesaeure-trifluormethylester, 2,2'-sulfanediylbis(3-hydroxycyclohex-2-en-1-one), 3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 105501-83-5 |
|---|---|
| SMILES | C1CC(=C(C(=O)C1)SC2=C(CCCC2=O)O)O |
| InChIKey | BVNAHAUBKFUXHA-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- (CAS 105501-83-5), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: 3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-
Property Insights of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- 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-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-?
The CAS number of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- is 105501-83-5.
What is the molecular formula of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-?
The molecular formula of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- is C12H14O4S.
What is the molecular weight of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-?
The molecular weight of 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- is 254.06 g/mol.
Where can I buy 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-?
You can request a quote for 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.