RefChem:349909
TL;DR: RefChem:349909 (CAS 63937-82-6) is a chemical compound with molecular formula C29H32ClNO6 and molecular weight 525.19183 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-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate
Also Known As: 1-(4-Chlorophenethyl)-6,7-dimethoxy-2-phenethyl-1,2,3,4-tetrahydroisoquinoline oxalate, Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-phenethyl-, hydrogen oxalate, 1-[2-(4-Chlorophenyl)ethyl]-6,7-dimethoxy-2-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)-6,7-DIMETHOXY-2-PHENETHYL, 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline;oxalic acid
Technical Specifications
| Molecular Formula | C29H32ClNO6 |
| Molecular Weight | 525.19183 g/mol |
| XLogP | 2.54 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.19183 Da |
| Heavy Atoms | 37 |
| Complexity | 595.0 |
| SMILES | COC1=C(C=C2C([NH+](CCC2=C1)CCC3=CC=CC=C3)CCC4=CC=C(C=C4)Cl)OC.C(=O)(C(=O)[O-])O |
| InChIKey | CXMMLPJDUMSKBJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349909
Property Insights of RefChem:349909
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349909. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349909. Following Lipinski's Rule of Five, RefChem:349909 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:349909?
The CAS number of RefChem:349909 is 63937-82-6.
What is the molecular formula of RefChem:349909?
The molecular formula of RefChem:349909 is C29H32ClNO6.
What is the molecular weight of RefChem:349909?
The molecular weight of RefChem:349909 is 525.19183 g/mol.
Where can I buy RefChem:349909?
You can request a quote for RefChem:349909 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349909?
Yes, CoreyChem provides custom synthesis services for RefChem:349909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.