Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
TL;DR: Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester (CAS 66891-85-8) is a chemical compound with molecular formula C15H20O8S2 and molecular weight 392.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-5-oxopentanoic acid
Also Known As: Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 5-{[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy}-5-oxopentanoic acid, 5-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C15H20O8S2 |
| Molecular Weight | 392.05997 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 392.05997 Da |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
| SMILES | CCOC(=O)C(=C1SCC(S1)OC(=O)CCCC(=O)O)C(=O)OCC |
| InChIKey | QOTXWEFFEDKINU-UHFFFAOYSA-N |
Chemical Property Profile of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
Property Insights of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester. The TPSA of 167.0 Ų indicates high polarity, suggesting Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The CAS number of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is 66891-85-8.
What is the molecular formula of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The molecular formula of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is C15H20O8S2.
What is the molecular weight of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
The molecular weight of Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester is 392.05997 g/mol.
Where can I buy Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
You can request a quote for Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester?
Yes, CoreyChem provides custom synthesis services for Pentanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.