2,6-Diphenyltetrahydro-4H-thiopyran-4-one
TL;DR: 2,6-Diphenyltetrahydro-4H-thiopyran-4-one (CAS 37014-01-0) is a chemical compound with molecular formula C17H16OS and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diphenylthian-4-one
Also Known As: 2,6-diphenylthian-4-one, 2,6-Diphenyl-tetrahydro-thiopyran-4-one, 2,6-Diphenyltetrahydro-4H-thiopyran-4-one, 2,6-Diphenyl-thiacyclohexanone-4, 2,6-Diphenyldihydro-2H-thiopyran-4(3H)-one
| Molecular Formula | C17H16OS |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0922 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 37014-01-0 |
|---|---|
| SMILES | C1C(SC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | PPJHHCQGZVIWAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diphenyltetrahydro-4H-thiopyran-4-one (CAS 37014-01-0), with molecular formula C17H16OS and molecular weight 268.09 g/mol. IUPAC: 2,6-diphenylthian-4-one.
Chemical Property Profile of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one
Property Insights of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one
The XLogP value of 3.4 indicates that 2,6-Diphenyltetrahydro-4H-thiopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2,6-Diphenyltetrahydro-4H-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diphenyltetrahydro-4H-thiopyran-4-one has 0 hydrogen bond donor(s) and 2 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 2,6-Diphenyltetrahydro-4H-thiopyran-4-one?
The CAS number of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one is 37014-01-0.
What is the molecular formula of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one?
The molecular formula of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one is C17H16OS.
What is the molecular weight of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one?
The molecular weight of 2,6-Diphenyltetrahydro-4H-thiopyran-4-one is 268.09 g/mol.
Where can I buy 2,6-Diphenyltetrahydro-4H-thiopyran-4-one?
You can request a quote for 2,6-Diphenyltetrahydro-4H-thiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diphenyltetrahydro-4H-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diphenyltetrahydro-4H-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.