RefChem:1059467
TL;DR: RefChem:1059467 (CAS 63937-33-7) is a chemical compound with molecular formula C17H19ClN2O2 and molecular weight 318.1135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-2,3-dimethyl-6-nitro-4-phenyl-, hydrochloride, (E)-, Isoquinoline, 2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-, trans-2,3-Dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, (3S)-2,3-Dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-iumchloride, (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Technical Specifications
| Molecular Formula | C17H19ClN2O2 |
| Molecular Weight | 318.1135 g/mol |
| XLogP | -0.85 |
| Topological Polar Surface Area (TPSA) | 50.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.1135 Da |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
| SMILES | C[C@H]1C(C2=C(C[NH+]1C)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-] |
| InChIKey | RAUFOFXMNPBTOY-HSQRQWGBSA-N |
Chemical Property Profile of RefChem:1059467
Property Insights of RefChem:1059467
The XLogP value of -0.85 indicates that RefChem:1059467 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.3 Ų, RefChem:1059467 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059467 has 1 hydrogen bond donor(s) and 3 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:1059467?
The CAS number of RefChem:1059467 is 63937-33-7.
What is the molecular formula of RefChem:1059467?
The molecular formula of RefChem:1059467 is C17H19ClN2O2.
What is the molecular weight of RefChem:1059467?
The molecular weight of RefChem:1059467 is 318.1135 g/mol.
Where can I buy RefChem:1059467?
You can request a quote for RefChem:1059467 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1059467?
Yes, CoreyChem provides custom synthesis services for RefChem:1059467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.