RefChem:1071871
TL;DR: RefChem:1071871 (CAS 130689-00-8) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-3-((4-hydroxy-3-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-hydroxy-3-methoxyphenyl)methylene)-, (Z)-, (3Z)-3-[(4-hydroxy-3-methoxy-phenyl)methylene]thiochroman-4-one, (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]thiochromen-4-one, 4H-1-benzothiopyran-4-one, 2,3-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methylene]-, (3Z)-
Technical Specifications
| Molecular Formula | C17H14O3S |
| Molecular Weight | 298.06638 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.06638 Da |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C/2\CSC3=CC=CC=C3C2=O)O |
| InChIKey | FFQHVAFMQBXGEF-XYOKQWHBSA-N |
Chemical Property Profile of RefChem:1071871
Property Insights of RefChem:1071871
The XLogP value of 3.5 indicates that RefChem:1071871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071871. Following Lipinski's Rule of Five, RefChem:1071871 has 1 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:1071871?
The CAS number of RefChem:1071871 is 130689-00-8.
What is the molecular formula of RefChem:1071871?
The molecular formula of RefChem:1071871 is C17H14O3S.
What is the molecular weight of RefChem:1071871?
The molecular weight of RefChem:1071871 is 298.06638 g/mol.
Where can I buy RefChem:1071871?
You can request a quote for RefChem:1071871 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071871?
Yes, CoreyChem provides custom synthesis services for RefChem:1071871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.