Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide
TL;DR: Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide (CAS 57553-29-4) is a chemical compound with molecular formula C11H16INO2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol iodide
Also Known As: 6,7-Dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide, 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol iodide, 6,7-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline methiodide, ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-2,2-DIMETHYL-, IODIDE, RefChem:1087792
| Molecular Formula | C11H16INO2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | -1.77 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.02258 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 57553-29-4 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1)O)O)C.[I-] |
| InChIKey | YAXUOSJEPGMBIE-UHFFFAOYSA-N |
Product Overview
Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide (CAS 57553-29-4), with molecular formula C11H16INO2 and molecular weight 321.02 g/mol. IUPAC: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol iodide.
Chemical Property Profile of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide
Property Insights of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide
The XLogP value of -1.77 indicates that Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide has 2 hydrogen bond donor(s) and 3 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 Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide?
The CAS number of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide is 57553-29-4.
What is the molecular formula of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide?
The molecular formula of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide is C11H16INO2.
What is the molecular weight of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide?
The molecular weight of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide is 321.02 g/mol.
Where can I buy Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide?
You can request a quote for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.