RefChem:303597
TL;DR: RefChem:303597 (CAS 64047-72-9) is a chemical compound with molecular formula C21H24ClNO6 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol;2-hydroxy-2-oxoacetate
Also Known As: 1-(4-Chlorophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol oxalate, 5-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrogen oxalate, 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-hydroxy-2-oxoacetate, 5-Isoquinolinol, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, ethanedioate (1:1) (salt), RefChem:303597
| Molecular Formula | C21H24ClNO6 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1292 |
| Heavy Atoms | 29 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 64047-72-9 |
|---|---|
| SMILES | C[NH+]1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2O)OC.C(=O)(C(=O)[O-])O |
| InChIKey | UUSSUURLYUEPHL-UHFFFAOYSA-N |
Product Overview
RefChem:303597 (CAS 64047-72-9), with molecular formula C21H24ClNO6 and molecular weight 421.13 g/mol. IUPAC: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:303597
Property Insights of RefChem:303597
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:303597. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:303597. Following Lipinski's Rule of Five, RefChem:303597 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:303597?
The CAS number of RefChem:303597 is 64047-72-9.
What is the molecular formula of RefChem:303597?
The molecular formula of RefChem:303597 is C21H24ClNO6.
What is the molecular weight of RefChem:303597?
The molecular weight of RefChem:303597 is 421.13 g/mol.
Where can I buy RefChem:303597?
You can request a quote for RefChem:303597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:303597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:303597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.