Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
TL;DR: Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate (CAS 62052-69-1) is a chemical compound with molecular formula C20H31NO7S2 and molecular weight 461.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate, Popanedioic acid, (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, dibutyl ester, Dibutyl (4-{[(morpholin-4-yl)acetyl]oxy}-1,3-dithiolan-2-ylidene)propanedioate, dibutyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate, RefChem:373644
| Molecular Formula | C20H31NO7S2 |
|---|---|
| Molecular Weight | 461.15 g/mol |
| LogP | 2.5661 |
| Topological Polar Surface Area | 91.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.1542 |
| Heavy Atoms | 30 |
| Complexity | 596.27625 |
Chemical Identifiers
| CAS Number | 62052-69-1 |
|---|---|
| SMILES | CCCCOC(=O)C(=C1SCC(S1)OC(=O)CN2CCOCC2)C(=O)OCCCC |
Product Overview
Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate (CAS 62052-69-1), with molecular formula C20H31NO7S2 and molecular weight 461.15 g/mol. IUPAC: dibutyl 2-[4-(2-morpholin-4-ylacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
Property Insights of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate
The XLogP value of 2.5661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl (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 Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate. Following Lipinski's Rule of Five, Dibutyl (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 Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The CAS number of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is 62052-69-1.
What is the molecular formula of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The molecular formula of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is C20H31NO7S2.
What is the molecular weight of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
The molecular weight of Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate is 461.15 g/mol.
Where can I buy Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
You can request a quote for Dibutyl (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 Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl (4-((4-morpholinylacetyl)oxy)-1,3-dithiolan-2-ylidene)popanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.