RefChem:349933
TL;DR: RefChem:349933 (CAS 63938-07-8) is a chemical compound with molecular formula C22H27ClN2O4 and molecular weight 418.16592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-1-[2-(4-nitrophenyl)ethyl]-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 1-(4-Nitrophenethyl)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-6,7-dimethoxy-1-(4-nitrophenethyl)-, hydrochloride, Isoquinoline, 2-allyl-6,7-dimethoxy-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-, hydrochloride, 6,7-dimethoxy-1-[2-(4-nitrophenyl)ethyl]-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-[2-(4-nitrophenyl)ethyl]-2-(2-propenyl)-, monohydrochloride
Technical Specifications
| Molecular Formula | C22H27ClN2O4 |
| Molecular Weight | 418.16592 g/mol |
| XLogP | -0.08 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.16592 Da |
| Heavy Atoms | 29 |
| Complexity | 515.0 |
| SMILES | COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-] |
| InChIKey | NPXVUKFDUUECTA-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349933
Property Insights of RefChem:349933
The XLogP value of -0.08 indicates that RefChem:349933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349933. Following Lipinski's Rule of Five, RefChem:349933 has 1 hydrogen bond donor(s) and 5 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:349933?
The CAS number of RefChem:349933 is 63938-07-8.
What is the molecular formula of RefChem:349933?
The molecular formula of RefChem:349933 is C22H27ClN2O4.
What is the molecular weight of RefChem:349933?
The molecular weight of RefChem:349933 is 418.16592 g/mol.
Where can I buy RefChem:349933?
You can request a quote for RefChem:349933 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349933?
Yes, CoreyChem provides custom synthesis services for RefChem:349933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.