4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one
TL;DR: 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one (CAS 62096-76-8) is a chemical compound with molecular formula C14H16O2S2 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenyl-1,3-dithian-2-yl)oxolan-2-one
Also Known As: 4-(2-phenyl-1,3-dithian-2-yl)oxolan-2-one
| Molecular Formula | C14H16O2S2 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.05917 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 62096-76-8 |
|---|---|
| SMILES | C1CSC(SC1)(C2CC(=O)OC2)C3=CC=CC=C3 |
| InChIKey | XZWIAJAXAGWQPG-UHFFFAOYSA-N |
Product Overview
4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one (CAS 62096-76-8), with molecular formula C14H16O2S2 and molecular weight 280.06 g/mol. IUPAC: 4-(2-phenyl-1,3-dithian-2-yl)oxolan-2-one.
Chemical Property Profile of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one
Property Insights of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one
The XLogP value of 3.0 indicates that 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one. Following Lipinski's Rule of Five, 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one has 0 hydrogen bond donor(s) and 4 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 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one?
The CAS number of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one is 62096-76-8.
What is the molecular formula of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one?
The molecular formula of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one is C14H16O2S2.
What is the molecular weight of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one?
The molecular weight of 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one is 280.06 g/mol.
Where can I buy 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one?
You can request a quote for 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Phenyl-1,3-dithian-2-yl)oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.