RefChem:1071879
TL;DR: RefChem:1071879 (CAS 130689-09-7) is a chemical compound with molecular formula C18H15ClO3S and molecular weight 346.04303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-6-chloro-3-((3,4-dimethoxyphenyl)methylene)-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-((3,4-dimethoxyphenyl)methylene)-, (Z)-, (3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylene]thiochroman-4-one, (3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one, 4H-1-benzothiopyran-4-one, 6-chloro-3-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-, (3Z)-
Technical Specifications
| Molecular Formula | C18H15ClO3S |
| Molecular Weight | 346.04303 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.04303 Da |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/2\CSC3=C(C2=O)C=C(C=C3)Cl)OC |
| InChIKey | BKHZHWPBAHDDIJ-KPKJPENVSA-N |
Chemical Property Profile of RefChem:1071879
Property Insights of RefChem:1071879
The XLogP value of 4.4 indicates that RefChem:1071879 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:1071879. Following Lipinski's Rule of Five, RefChem:1071879 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:1071879?
The CAS number of RefChem:1071879 is 130689-09-7.
What is the molecular formula of RefChem:1071879?
The molecular formula of RefChem:1071879 is C18H15ClO3S.
What is the molecular weight of RefChem:1071879?
The molecular weight of RefChem:1071879 is 346.04303 g/mol.
Where can I buy RefChem:1071879?
You can request a quote for RefChem:1071879 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071879?
Yes, CoreyChem provides custom synthesis services for RefChem:1071879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.