Dipropyl 1,3-dithiolan-2-ylidenepropanedioate
TL;DR: Dipropyl 1,3-dithiolan-2-ylidenepropanedioate (CAS 52298-01-8) is a chemical compound with molecular formula C12H18O4S2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropyl 2-(1,3-dithiolan-2-ylidene)propanedioate
Also Known As: Dipropyl 1,3-dithiolan-2-ylidenepropanedioate, Dipropyl 2-(1,3-dithiolan-2-ylidene)malonate, Dipropyl (1,3-dithiolan-2-ylidene)propanedioate, dipropyl 2-(1,3-dithiolan-2-ylidene)propanedioate, PROPANEDIOIC ACID, 1,3-DITHIOLAN-2-YLIDENE-, DIP
| Molecular Formula | C12H18O4S2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 290.06464 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 52298-01-8 |
|---|---|
| SMILES | CCCOC(=O)C(=C1SCCS1)C(=O)OCCC |
| InChIKey | YMWFKBDHCLITOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipropyl 1,3-dithiolan-2-ylidenepropanedioate (CAS 52298-01-8), with molecular formula C12H18O4S2 and molecular weight 290.06 g/mol. IUPAC: dipropyl 2-(1,3-dithiolan-2-ylidene)propanedioate.
Chemical Property Profile of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate
Property Insights of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate
The XLogP value of 3.3 indicates that Dipropyl 1,3-dithiolan-2-ylidenepropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipropyl 1,3-dithiolan-2-ylidenepropanedioate. Following Lipinski's Rule of Five, Dipropyl 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 Dipropyl 1,3-dithiolan-2-ylidenepropanedioate?
The CAS number of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate is 52298-01-8.
What is the molecular formula of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate?
The molecular formula of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate is C12H18O4S2.
What is the molecular weight of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate?
The molecular weight of Dipropyl 1,3-dithiolan-2-ylidenepropanedioate is 290.06 g/mol.
Where can I buy Dipropyl 1,3-dithiolan-2-ylidenepropanedioate?
You can request a quote for Dipropyl 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 Dipropyl 1,3-dithiolan-2-ylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dipropyl 1,3-dithiolan-2-ylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.