Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
TL;DR: Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate (CAS 62052-70-4) is a chemical compound with molecular formula C16H23NO7S2 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate, Popanedioic acid, (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester, Diethyl (4-{[(morpholin-4-yl)acetyl]oxy}-1,3-dithiolan-2-ylidene)propanedioate, diethyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate, RefChem:373645
| Molecular Formula | C16H23NO7S2 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 1.0057 |
| Topological Polar Surface Area | 91.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.09158 |
| Heavy Atoms | 26 |
| Complexity | 540.8015 |
Chemical Identifiers
| CAS Number | 62052-70-4 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCC(S1)OC(=O)CN2CCOCC2)C(=O)OCC |
Product Overview
Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate (CAS 62052-70-4), with molecular formula C16H23NO7S2 and molecular weight 405.09 g/mol. IUPAC: diethyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
Property Insights of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
The XLogP value of 1.0057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate. The TPSA of 91.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate. Following Lipinski's Rule of Five, Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate has 0 hydrogen bond donor(s) and 10 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 Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The CAS number of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is 62052-70-4.
What is the molecular formula of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The molecular formula of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is C16H23NO7S2.
What is the molecular weight of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The molecular weight of Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is 405.09 g/mol.
Where can I buy Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
You can request a quote for Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.