2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one
TL;DR: 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one (CAS 60575-29-3) is a chemical compound with molecular formula C13H22OS2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-one
Also Known As: 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(1-methylethyl)cyclohexanone, Cyclohexanone, 2-(1,3-dithiolan-2-yl)-3-methyl-6-(1-methylethyl)-, 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one, 2-(1,3-dithiolan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-one, RefChem:1060619
| Molecular Formula | C13H22OS2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 3.6799 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.1112 |
| Heavy Atoms | 16 |
| Complexity | 258.6582 |
Chemical Identifiers
| CAS Number | 60575-29-3 |
|---|---|
| SMILES | CC1CCC(C(=O)C1C2SCCS2)C(C)C |
Product Overview
2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one (CAS 60575-29-3), with molecular formula C13H22OS2 and molecular weight 258.11 g/mol. IUPAC: 2-(1,3-dithiolan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one
Property Insights of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one
The XLogP value of 3.6799 indicates that 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one has 0 hydrogen bond donor(s) and 3 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-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one?
The CAS number of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one is 60575-29-3.
What is the molecular formula of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one?
The molecular formula of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one is C13H22OS2.
What is the molecular weight of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one?
The molecular weight of 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one is 258.11 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one?
You can request a quote for 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(propan-2-yl)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.