4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
TL;DR: 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- (CAS 789-78-6) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-2-phenylthiochromen-4-one
Also Known As: 7-Methoxythioflavone, 1-Thioflavone, 7-methoxy-, 7-Methoxy-2-phenyl-4H-thiochromen-4-one, 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-, 7-methoxy-2-phenylthiochromen-4-one
Technical Specifications
| Molecular Formula | C16H12O2S |
| Molecular Weight | 268.0558 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | COC1=CC2=C(C=C1)C(=O)C=C(S2)C3=CC=CC=C3 |
| InChIKey | MUMCJGWCGQZTNA-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
Property Insights of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
The XLogP value of 3.7 indicates that 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- 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
What is the CAS number of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-?
The CAS number of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- is 789-78-6.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- is C16H12O2S.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- is 268.0558 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-?
Yes, CoreyChem provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.