1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate
TL;DR: 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate (CAS 62052-50-0) is a chemical compound with molecular formula C12H15ClO6S2 and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diethyl (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester, diethyl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate, Diethyl {4-[(chloroacetyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate, 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate
| Molecular Formula | C12H15ClO6S2 |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 1.9123 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.99985 |
| Heavy Atoms | 21 |
| Complexity | 431.0286 |
Chemical Identifiers
| CAS Number | 62052-50-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCC(S1)OC(=O)CCl)C(=O)OCC |
Product Overview
1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate (CAS 62052-50-0), with molecular formula C12H15ClO6S2 and molecular weight 354.00 g/mol. IUPAC: diethyl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate
Property Insights of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate
The XLogP value of 1.9123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate has 0 hydrogen bond donor(s) and 8 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 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate?
The CAS number of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate is 62052-50-0.
What is the molecular formula of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate?
The molecular formula of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate is C12H15ClO6S2.
What is the molecular weight of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate?
The molecular weight of 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate is 354.00 g/mol.
Where can I buy 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate?
You can request a quote for 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(4-((2-chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.