Isoprothiolane sulfoxide
TL;DR: Isoprothiolane sulfoxide (CAS 52303-69-2) is a chemical compound with molecular formula C12H18O5S2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioate
Also Known As: Isoprothiolane sulfoxide, dipropan-2-yl 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide, Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide, diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate
| Molecular Formula | C12H18O5S2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.05957 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 52303-69-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCCS1=O)C(=O)OC(C)C |
| InChIKey | ZFQQZUBSEINSSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoprothiolane sulfoxide (CAS 52303-69-2), with molecular formula C12H18O5S2 and molecular weight 306.06 g/mol. IUPAC: dipropan-2-yl 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioate.
Chemical Property Profile of Isoprothiolane sulfoxide
Property Insights of Isoprothiolane sulfoxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoprothiolane sulfoxide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoprothiolane sulfoxide. Following Lipinski's Rule of Five, Isoprothiolane sulfoxide has 0 hydrogen bond donor(s) and 7 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 Isoprothiolane sulfoxide?
The CAS number of Isoprothiolane sulfoxide is 52303-69-2.
What is the molecular formula of Isoprothiolane sulfoxide?
The molecular formula of Isoprothiolane sulfoxide is C12H18O5S2.
What is the molecular weight of Isoprothiolane sulfoxide?
The molecular weight of Isoprothiolane sulfoxide is 306.06 g/mol.
Where can I buy Isoprothiolane sulfoxide?
You can request a quote for Isoprothiolane sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprothiolane sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Isoprothiolane sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.