3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one
TL;DR: 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one (CAS 130689-05-3) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one
Also Known As: 4H-1-Benzothiopyran-4-one,3-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-6-methoxy-, (Z)- (9CI), (Z)-2,3-Dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-, (Z)-
Technical Specifications
| Molecular Formula | C18H14O4S |
| Molecular Weight | 326.06128 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.06128 Da |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| SMILES | COC1=CC2=C(C=C1)SCC(=CC3=CC4=C(C=C3)OCO4)C2=O |
| InChIKey | QFBKJAKGMWLZTC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one
Property Insights of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one
The XLogP value of 3.7 indicates that 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one is 130689-05-3.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one is C18H14O4S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one is 326.06128 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethylidene)-6-methoxythiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.