3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide
TL;DR: 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS 65307-12-2) is a chemical compound with molecular formula C17H16O3S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-3,5-diphenylthian-4-one
Also Known As: 1,1-dioxo-3,5-diphenylthian-4-one, 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide, bis(4-butylselanylphenyl)diazene, bis(4-methylselanylphenyl)diazene, 1,1-dioxo-3,5-diphenyl-thian-4-one
| Molecular Formula | C17H16O3S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.082 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 65307-12-2 |
|---|---|
| SMILES | C1C(C(=O)C(CS1(=O)=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | SNQCMLILKIMIOR-UHFFFAOYSA-N |
Product Overview
3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS 65307-12-2), with molecular formula C17H16O3S and molecular weight 300.08 g/mol. IUPAC: 1,1-dioxo-3,5-diphenylthian-4-one.
Chemical Property Profile of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide
Property Insights of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide. With a topological polar surface area (TPSA) of 59.6 Ų, 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide?
The CAS number of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide is 65307-12-2.
What is the molecular formula of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide?
The molecular formula of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide is C17H16O3S.
What is the molecular weight of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide?
The molecular weight of 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide is 300.08 g/mol.
Where can I buy 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide?
You can request a quote for 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.