2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one
TL;DR: 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one (CAS 23044-72-6) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-methyl-3-phenylthiopyran-4-one
Also Known As: 2-hydroxy-6-methyl-3-phenyl-4h-thiopyran-4-one, 2-hydroxy-6-methyl-3-phenylthiopyran-4-one, 4-Hydroxy-6-methyl-3-phenyl-2H-thiopyran-2-one, 3-Phenyl-4-hydroxy-6-methyl-thia-alpha-pyron, 2H-Thiopyran-2-one, 4-hydroxy-6-methyl-3-phenyl-
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 23044-72-6 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(S1)O)C2=CC=CC=C2 |
| InChIKey | UBHAONKQFDUQOB-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one (CAS 23044-72-6), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: 2-hydroxy-6-methyl-3-phenylthiopyran-4-one.
Chemical Property Profile of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one
Property Insights of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one. Following Lipinski's Rule of Five, 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one has 1 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 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one?
The CAS number of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one is 23044-72-6.
What is the molecular formula of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one?
The molecular formula of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one is C12H10O2S.
What is the molecular weight of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one?
The molecular weight of 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one is 218.04 g/mol.
Where can I buy 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one?
You can request a quote for 2-Hydroxy-6-methyl-3-phenyl-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-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-6-methyl-3-phenyl-4H-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.