RefChem:349932
TL;DR: RefChem:349932 (CAS 63938-06-7) is a chemical compound with molecular formula C22H27Cl2NO2 and molecular weight 407.14188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 1-(4-Chlorophenethyl)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride, 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-propenyl)-, hydrochloride
Technical Specifications
| Molecular Formula | C22H27Cl2NO2 |
| Molecular Weight | 407.14188 g/mol |
| XLogP | 0.66 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.14188 Da |
| Heavy Atoms | 27 |
| Complexity | 438.0 |
| SMILES | COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)Cl)OC.[Cl-] |
| InChIKey | YMSBFNUBFGRJNW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349932
Property Insights of RefChem:349932
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349932. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349932 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349932 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:349932?
The CAS number of RefChem:349932 is 63938-06-7.
What is the molecular formula of RefChem:349932?
The molecular formula of RefChem:349932 is C22H27Cl2NO2.
What is the molecular weight of RefChem:349932?
The molecular weight of RefChem:349932 is 407.14188 g/mol.
Where can I buy RefChem:349932?
You can request a quote for RefChem:349932 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349932?
Yes, CoreyChem provides custom synthesis services for RefChem:349932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.