tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one
TL;DR: tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one (CAS 28612-36-4) is a chemical compound with molecular formula C19H16OS and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibenzylidenethian-4-one
Also Known As: 3,5-dibenzylidenethian-4-one, (3Z,5Z)-3,5-dibenzylidenethian-4-one, tetrahydro-3,5-bis (phenylmethylene)-4h-thiopyran-4-one, tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one, Tetrahydro-3,5-bis-(phenylmethylene)-4H-thiopyran-4-one
| Molecular Formula | C19H16OS |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0922 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 28612-36-4 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CS1 |
| InChIKey | QVYZIRHMCZTVNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one (CAS 28612-36-4), with molecular formula C19H16OS and molecular weight 292.09 g/mol. IUPAC: 3,5-dibenzylidenethian-4-one.
Chemical Property Profile of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one
Property Insights of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one
The XLogP value of 4.2 indicates that tetrahydro-3,5-bis(phenylmethylene)-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, tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tetrahydro-3,5-bis(phenylmethylene)-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 tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one?
The CAS number of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one is 28612-36-4.
What is the molecular formula of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one?
The molecular formula of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one is C19H16OS.
What is the molecular weight of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one?
The molecular weight of tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one is 292.09 g/mol.
Where can I buy tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one?
You can request a quote for tetrahydro-3,5-bis(phenylmethylene)-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 tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for tetrahydro-3,5-bis(phenylmethylene)-4H-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.