RefChem:1053984
TL;DR: RefChem:1053984 (CAS 93203-05-5) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: C16H17NO3.ClH.3/2H2O, C16-H17-N-O3.Cl-H.3/2H2-O, 1,2,3,4-Tetrahydro-1-(2-hydroxyphenyl)-2-methyl-4,6-isoquinolinediol HCl hydrate (2:2:3), 1-(2-hydroxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(2-hydroxyphenyl)-2-methyl-, hydrochloride, hydrate (2:2:3)
Technical Specifications
| Molecular Formula | C16H18ClNO3 |
| Molecular Weight | 307.09753 g/mol |
| XLogP | -2.25 |
| Topological Polar Surface Area (TPSA) | 65.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.09753 Da |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
| SMILES | C[NH+]1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O.[Cl-] |
| InChIKey | KZYLWGQAXWDCHT-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1053984
Property Insights of RefChem:1053984
The XLogP value of -2.25 indicates that RefChem:1053984 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053984. Following Lipinski's Rule of Five, RefChem:1053984 has 4 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:1053984?
The CAS number of RefChem:1053984 is 93203-05-5.
What is the molecular formula of RefChem:1053984?
The molecular formula of RefChem:1053984 is C16H18ClNO3.
What is the molecular weight of RefChem:1053984?
The molecular weight of RefChem:1053984 is 307.09753 g/mol.
Where can I buy RefChem:1053984?
You can request a quote for RefChem:1053984 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1053984?
Yes, CoreyChem provides custom synthesis services for RefChem:1053984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.