Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester
TL;DR: Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester (CAS 62052-64-6) is a chemical compound with molecular formula C20H22O8S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid
Also Known As: Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester, 1,2-Benzenedicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid, 2-{[(2-{1,3-Dioxo-1,3-bis[(propan-2-yl)oxy]propan-2-ylidene}-1,3-dithiolan-4-yl)oxy]carbonyl}benzoic acid, RefChem:215489
| Molecular Formula | C20H22O8S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.4625 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.07562 |
| Heavy Atoms | 30 |
| Complexity | 851.3124 |
Chemical Identifiers
| CAS Number | 62052-64-6 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=CC=CC=C2C(=O)O)C(=O)OC(C)C |
Product Overview
Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester (CAS 62052-64-6), with molecular formula C20H22O8S2 and molecular weight 454.08 g/mol. IUPAC: 2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid.
Chemical Property Profile of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester
Property Insights of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester
The XLogP value of 3.4625 indicates that Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-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 Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester. Following Lipinski's Rule of Five, Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic 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-ylidenemalonate phthalic acid semi-ester?
The CAS number of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester is 62052-64-6.
What is the molecular formula of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester?
The molecular formula of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester is C20H22O8S2.
What is the molecular weight of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester?
The molecular weight of Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester is 454.08 g/mol.
Where can I buy Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester?
You can request a quote for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic 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-ylidenemalonate phthalic acid semi-ester?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.