RefChem:1071828
TL;DR: RefChem:1071828 (CAS 130688-93-6) is a chemical compound with molecular formula C18H16O3S and molecular weight 312.082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(4-methoxyphenyl)methylidene]-6-methylsulfanylchromen-4-one
Also Known As: (E)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-6-(methylthio)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-6-(methylthio)-, (E)-, (3E)-3-[(4-methoxyphenyl)methylene]-6-methylsulfanyl-chroman-4-one, (3E)-3-[(4-methoxyphenyl)methylidene]-6-methylsulfanylchromen-4-one, 4H-1-benzopyran-4-one, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-6-(methylthio)-, (3E)-
Technical Specifications
| Molecular Formula | C18H16O3S |
| Molecular Weight | 312.082 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.082 Da |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=C(C=C3)SC |
| InChIKey | GXIVQLHENDICGK-UKTHLTGXSA-N |
Chemical Property Profile of RefChem:1071828
Property Insights of RefChem:1071828
The XLogP value of 3.8 indicates that RefChem:1071828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071828. Following Lipinski's Rule of Five, RefChem:1071828 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1071828?
The CAS number of RefChem:1071828 is 130688-93-6.
What is the molecular formula of RefChem:1071828?
The molecular formula of RefChem:1071828 is C18H16O3S.
What is the molecular weight of RefChem:1071828?
The molecular weight of RefChem:1071828 is 312.082 g/mol.
Where can I buy RefChem:1071828?
You can request a quote for RefChem:1071828 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071828?
Yes, CoreyChem provides custom synthesis services for RefChem:1071828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.