RefChem:1071875
TL;DR: RefChem:1071875 (CAS 130689-10-0) is a chemical compound with molecular formula C17H11ClO3S and molecular weight 330.01175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chlorothiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-chloro-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-chloro-, (Z)-, (3Z)-3-(1,3-benzodioxol-5-ylmethylene)-6-chloro-thiochroman-4-one, (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chlorothiochromen-4-one, 4H-1-benzothiopyran-4-one, 3-(1,3-benzodioxol-5-ylmethylene)-6-chloro-2,3-dihydro-, (3Z)-
Technical Specifications
| Molecular Formula | C17H11ClO3S |
| Molecular Weight | 330.01175 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.01175 Da |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
| SMILES | C1/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C4=C(S1)C=CC(=C4)Cl |
| InChIKey | HPSXEVBPPHWDGN-VZUCSPMQSA-N |
Chemical Property Profile of RefChem:1071875
Property Insights of RefChem:1071875
The XLogP value of 4.3 indicates that RefChem:1071875 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:1071875. Following Lipinski's Rule of Five, RefChem:1071875 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:1071875?
The CAS number of RefChem:1071875 is 130689-10-0.
What is the molecular formula of RefChem:1071875?
The molecular formula of RefChem:1071875 is C17H11ClO3S.
What is the molecular weight of RefChem:1071875?
The molecular weight of RefChem:1071875 is 330.01175 g/mol.
Where can I buy RefChem:1071875?
You can request a quote for RefChem:1071875 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071875?
Yes, CoreyChem provides custom synthesis services for RefChem:1071875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.