Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide
TL;DR: Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide (CAS 121064-30-0) is a chemical compound with molecular formula C12H16IN and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-4H-isoquinoline;hydroiodide
Also Known As: 3,4-Dihydro-1,3,3-trimethylisoquinoline hydriodide, Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide, 1,3,3-trimethyl-4H-isoquinoline hydroiodide, 1,3,3-trimethyl-4H-isoquinoline,hydroiodide, 1,3,3-Trimethyl-3,4-dihydroisoquinoline--hydrogen iodide (1/1)
| Molecular Formula | C12H16IN |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 3.4483 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.03275 |
| Heavy Atoms | 14 |
| Complexity | 366.33942 |
Chemical Identifiers
| CAS Number | 121064-30-0 |
|---|---|
| SMILES | CC1=NC(CC2=CC=CC=C12)(C)C.I |
Product Overview
Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide (CAS 121064-30-0), with molecular formula C12H16IN and molecular weight 301.03 g/mol. IUPAC: 1,3,3-trimethyl-4H-isoquinoline;hydroiodide.
Chemical Property Profile of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide
Property Insights of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide
The XLogP value of 3.4483 indicates that Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide has 0 hydrogen bond donor(s) and 1 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 Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide?
The CAS number of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide is 121064-30-0.
What is the molecular formula of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide?
The molecular formula of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide is C12H16IN.
What is the molecular weight of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide?
The molecular weight of Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide is 301.03 g/mol.
Where can I buy Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide?
You can request a quote for Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 3,4-dihydro-1,3,3-trimethyl-, hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.