4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
TL;DR: 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester (CAS 62052-65-7) is a chemical compound with molecular formula C20H26O8S2 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 6-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]cyclohex-3-ene-1-carboxylic acid, 6-{[(2-{1,3-Dioxo-1,3-bis[(propan-2-yl)oxy]propan-2-ylidene}-1,3-dithiolan-4-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxylic acid, RefChem:292258
| Molecular Formula | C20H26O8S2 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.1175 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1069 |
| Heavy Atoms | 30 |
| Complexity | 731.90546 |
Chemical Identifiers
| CAS Number | 62052-65-7 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2CC=CCC2C(=O)O)C(=O)OC(C)C |
Product Overview
4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester (CAS 62052-65-7), with molecular formula C20H26O8S2 and molecular weight 458.11 g/mol. IUPAC: 6-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
Property Insights of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
The XLogP value of 3.1175 indicates that 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester. Following Lipinski's Rule of Five, 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester has 1 hydrogen bond donor(s) and 9 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 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The CAS number of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is 62052-65-7.
What is the molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is C20H26O8S2.
What is the molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is 458.11 g/mol.
Where can I buy 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
You can request a quote for 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.