RefChem:1069526
TL;DR: RefChem:1069526 (CAS 93203-06-6) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: C17H19NO3.ClH.1/2H2O, C17-H19-N-O3.Cl-H.1/2H2-O, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-2-methyl-, hydrochloride, hydrate (2:2:1), 1-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-2-methyl-4,6-isoquinolinediol hydrochloride H2O (2:2:1)
Technical Specifications
| Molecular Formula | C17H20ClNO3 |
| Molecular Weight | 321.11316 g/mol |
| XLogP | -1.94 |
| Topological Polar Surface Area (TPSA) | 54.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11316 Da |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
| SMILES | C[NH+]1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.[Cl-] |
| InChIKey | VBXLHYCGQDAHGW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1069526
Property Insights of RefChem:1069526
The XLogP value of -1.94 indicates that RefChem:1069526 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.1 Ų, RefChem:1069526 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069526 has 3 hydrogen bond donor(s) and 4 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:1069526?
The CAS number of RefChem:1069526 is 93203-06-6.
What is the molecular formula of RefChem:1069526?
The molecular formula of RefChem:1069526 is C17H20ClNO3.
What is the molecular weight of RefChem:1069526?
The molecular weight of RefChem:1069526 is 321.11316 g/mol.
Where can I buy RefChem:1069526?
You can request a quote for RefChem:1069526 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069526?
Yes, CoreyChem provides custom synthesis services for RefChem:1069526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.