(3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one
TL;DR: (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one (CAS 1382204-66-1) is a chemical compound with molecular formula C17H14O2S and molecular weight 282.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
Also Known As: (e)-3-(4-(methylthio)benzylidene)chroman-4-one, AB00719561-01, AB00719561-03, AB00719561-04, (3E)-3-[(4-methylsulfanylphenyl)methylidene]chromen-4-one
Technical Specifications
| Molecular Formula | C17H14O2S |
| Molecular Weight | 282.07144 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07144 Da |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
| SMILES | CSC1=CC=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O |
| InChIKey | ZQGVTARIAVWXGV-JLHYYAGUSA-N |
Chemical Property Profile of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one
Property Insights of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one
The XLogP value of 3.8 indicates that (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one 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 (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one?
The CAS number of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one is 1382204-66-1.
What is the molecular formula of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one?
The molecular formula of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one is C17H14O2S.
What is the molecular weight of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one?
The molecular weight of (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one is 282.07144 g/mol.
Where can I buy (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one?
You can request a quote for (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for (3E)-2,3-Dihydro-3-((4-(methylthio)phenyl)methylene)-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.