RefChem:349896
TL;DR: RefChem:349896 (CAS 63937-51-9) is a chemical compound with molecular formula C19H20Cl3NO2 and molecular weight 399.05597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3,4-dichlorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(3,4-dichlorophenethyl)-2-methyl-6,7-methylenedioxy-, hydrochloride, 5-[2-(3,4-dichlorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(3,4-DICHLOROPHENETHYL)-2-METHYL-6,7-METHYLEN, 1,3-Dioxolo[4,5-g]isoquinoline, 5-[2-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-6-methyl-, hydrochloride
Technical Specifications
| Molecular Formula | C19H20Cl3NO2 |
| Molecular Weight | 399.05597 g/mol |
| XLogP | 0.47 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.05597 Da |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
| SMILES | C[NH+]1CCC2=CC3=C(C=C2C1CCC4=CC(=C(C=C4)Cl)Cl)OCO3.[Cl-] |
| InChIKey | HGUSSAFZFOSXOC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349896
Property Insights of RefChem:349896
The XLogP value of 0.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349896. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349896 has 1 hydrogen bond donor(s) and 3 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:349896?
The CAS number of RefChem:349896 is 63937-51-9.
What is the molecular formula of RefChem:349896?
The molecular formula of RefChem:349896 is C19H20Cl3NO2.
What is the molecular weight of RefChem:349896?
The molecular weight of RefChem:349896 is 399.05597 g/mol.
Where can I buy RefChem:349896?
You can request a quote for RefChem:349896 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349896?
Yes, CoreyChem provides custom synthesis services for RefChem:349896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.