RefChem:349901
TL;DR: RefChem:349901 (CAS 63937-87-1) is a chemical compound with molecular formula C21H27Cl2N and molecular weight 363.15207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethyl]-2,3,6,7-tetramethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2,3,6,7-tetramethyl-, hydrochloride, 1-(4-Chlorophenethyl)-2,3,6,7-tetramethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 1-(4-chlorophenethyl)-1,2,3,4-tetrahydro-2,3,6,7-tetramethyl-, hydrochloride, 1-[2-(4-chlorophenyl)ethyl]-2,3,6,7-tetramethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-2,3,6,7-tetramethyl-, hydrochloride
Technical Specifications
| Molecular Formula | C21H27Cl2N |
| Molecular Weight | 363.15207 g/mol |
| XLogP | 1.09 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.15207 Da |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
| SMILES | CC1CC2=C(C=C(C(=C2)C)C)C([NH+]1C)CCC3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | XMNLGWOTBAOGKU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349901
Property Insights of RefChem:349901
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349901. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:349901 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349901 has 1 hydrogen bond donor(s) and 1 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:349901?
The CAS number of RefChem:349901 is 63937-87-1.
What is the molecular formula of RefChem:349901?
The molecular formula of RefChem:349901 is C21H27Cl2N.
What is the molecular weight of RefChem:349901?
The molecular weight of RefChem:349901 is 363.15207 g/mol.
Where can I buy RefChem:349901?
You can request a quote for RefChem:349901 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349901?
Yes, CoreyChem provides custom synthesis services for RefChem:349901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.