Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester
TL;DR: Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester (CAS 62052-60-2) is a chemical compound with molecular formula C16H22O8S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid
Also Known As: Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester, Butanedioic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 4-[(2-{1,3-Dioxo-1,3-bis[(propan-2-yl)oxy]propan-2-ylidene}-1,3-dithiolan-4-yl)oxy]-4-oxobutanoic acid, 4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid, RefChem:330607
| Molecular Formula | C16H22O8S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.3153 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.07562 |
| Heavy Atoms | 26 |
| Complexity | 573.0572 |
Chemical Identifiers
| CAS Number | 62052-60-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)O)C(=O)OC(C)C |
Product Overview
Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester (CAS 62052-60-2), with molecular formula C16H22O8S2 and molecular weight 406.08 g/mol. IUPAC: 4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester
Property Insights of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester
The XLogP value of 2.3153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester. Following Lipinski's Rule of Five, Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-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 Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester?
The CAS number of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester is 62052-60-2.
What is the molecular formula of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester?
The molecular formula of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester is C16H22O8S2.
What is the molecular weight of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester?
The molecular weight of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester is 406.08 g/mol.
Where can I buy Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester?
You can request a quote for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidene malonate succinic acid semi-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.