RefChem:1071872
TL;DR: RefChem:1071872 (CAS 130689-13-3) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[(4-methoxyphenyl)methylidene]-1,1-dioxothiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, 1,1-dioxide, (Z)-, (3Z)-3-[(4-methoxyphenyl)methylene]-1,1-dioxo-thiochromen-4-one, (3Z)-3-[(4-methoxyphenyl)methylidene]-1,1-dioxothiochromen-4-one, 4H-1-benzothiopyran-4-one, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-, 1,1-dioxide, (3Z)-
Technical Specifications
| Molecular Formula | C17H14O4S |
| Molecular Weight | 314.06128 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.06128 Da |
| Heavy Atoms | 22 |
| Complexity | 550.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/2\CS(=O)(=O)C3=CC=CC=C3C2=O |
| InChIKey | NWWAXIIZZWYWCW-JLHYYAGUSA-N |
Chemical Property Profile of RefChem:1071872
Property Insights of RefChem:1071872
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071872. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071872. Following Lipinski's Rule of Five, RefChem:1071872 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:1071872?
The CAS number of RefChem:1071872 is 130689-13-3.
What is the molecular formula of RefChem:1071872?
The molecular formula of RefChem:1071872 is C17H14O4S.
What is the molecular weight of RefChem:1071872?
The molecular weight of RefChem:1071872 is 314.06128 g/mol.
Where can I buy RefChem:1071872?
You can request a quote for RefChem:1071872 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071872?
Yes, CoreyChem provides custom synthesis services for RefChem:1071872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.