Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate
TL;DR: Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate (CAS 50780-71-7) is a chemical compound with molecular formula C14H22O4S2 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 3-O-(2-methylpropyl) 2-(1,3-dithiolan-2-ylidene)propanedioate
Also Known As: Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylpropyl) ester, tert-Butyl 2-methylpropyl (1,3-dithiolan-2-ylidene)propanedioate, 1-O-tert-butyl 3-O-(2-methylpropyl) 2-(1,3-dithiolan-2-ylidene)propanedioate
| Molecular Formula | C14H22O4S2 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 3.2189 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.09595 |
| Heavy Atoms | 20 |
| Complexity | 399.88718 |
Chemical Identifiers
| CAS Number | 50780-71-7 |
|---|---|
| SMILES | CC(C)COC(=O)C(=C1SCCS1)C(=O)OC(C)(C)C |
Product Overview
Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate (CAS 50780-71-7), with molecular formula C14H22O4S2 and molecular weight 318.10 g/mol. IUPAC: 1-O-tert-butyl 3-O-(2-methylpropyl) 2-(1,3-dithiolan-2-ylidene)propanedioate.
Chemical Property Profile of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate
Property Insights of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate
The XLogP value of 3.2189 indicates that Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate has 0 hydrogen bond donor(s) and 6 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 Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate?
The CAS number of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate is 50780-71-7.
What is the molecular formula of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate?
The molecular formula of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate is C14H22O4S2.
What is the molecular weight of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate?
The molecular weight of Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate is 318.10 g/mol.
Where can I buy Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate?
You can request a quote for Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methylpropyl) 1,3-dithiolan-2-ylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.