RefChem:349923
TL;DR: RefChem:349923 (CAS 1900-33-0) is a chemical compound with molecular formula C24H30ClNO6 and molecular weight 463.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-2-(4-(p-chlorophenyl)butyl)-6,7-dimethoxy-1-methyl-, oxalate, 2-(4-(p-Chlorophenyl)butyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline oxalate, 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate, Isoquinoline, 2-[4-(4-chlorophenyl)butyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, ethanedioate (1:1), RefChem:349923
| Molecular Formula | C24H30ClNO6 |
|---|---|
| Molecular Weight | 463.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.17618 |
| Heavy Atoms | 32 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 1900-33-0 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CC[NH+]1CCCCC3=CC=C(C=C3)Cl)OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | QMUNKOQUOXYKKW-UHFFFAOYSA-N |
Product Overview
RefChem:349923 (CAS 1900-33-0), with molecular formula C24H30ClNO6 and molecular weight 463.18 g/mol. IUPAC: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:349923
Property Insights of RefChem:349923
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349923. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349923. Following Lipinski's Rule of Five, RefChem:349923 has 2 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:349923?
The CAS number of RefChem:349923 is 1900-33-0.
What is the molecular formula of RefChem:349923?
The molecular formula of RefChem:349923 is C24H30ClNO6.
What is the molecular weight of RefChem:349923?
The molecular weight of RefChem:349923 is 463.18 g/mol.
Where can I buy RefChem:349923?
You can request a quote for RefChem:349923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.