3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide
TL;DR: 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide (CAS 71816-86-9) is a chemical compound with molecular formula C27H20O3S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3,3,4,4-tetraphenyloxathiolan-5-one
Also Known As: 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide, 2-oxo-3,3,4,4-tetraphenyloxathiolan-5-one, 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one2-oxide, 1,2-Oxathiolan-5-one,3,3,4,4-tetraphenyl-, 2-oxide, 3,3,4,4-Tetraphenyl-1,2lambda~4~-oxathiolane-2,5-dione
| Molecular Formula | C27H20O3S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1133 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 71816-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)OS(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | CIFDPSYRKUSXHV-UHFFFAOYSA-N |
Product Overview
3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide (CAS 71816-86-9), with molecular formula C27H20O3S and molecular weight 424.11 g/mol. IUPAC: 2-oxo-3,3,4,4-tetraphenyloxathiolan-5-one.
Chemical Property Profile of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide
Property Insights of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide
The XLogP value of 5.6 indicates that 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide. Following Lipinski's Rule of Five, 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide?
The CAS number of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide is 71816-86-9.
What is the molecular formula of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide?
The molecular formula of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide is C27H20O3S.
What is the molecular weight of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide?
The molecular weight of 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide is 424.11 g/mol.
Where can I buy 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide?
You can request a quote for 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4-Tetraphenyl-1,2-oxathiolan-5-one 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.