Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride
TL;DR: Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride (CAS 855651-85-3) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-1-phenylisoquinoline;hydrochloride
Also Known As: NIOSH/NW8400000, 4504 R.P., 5,6-Dimethoxy-1-phenylisoquinoline hydrochloride, Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride, Chlorhydrate de phenyl-1 dimethoxy-5,6 isoquinoleine
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 4.3408 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 744.3662 |
Chemical Identifiers
| CAS Number | 855651-85-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=NC=C2)C3=CC=CC=C3)OC.Cl |
Product Overview
Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride (CAS 855651-85-3), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: 5,6-dimethoxy-1-phenylisoquinoline;hydrochloride.
Chemical Property Profile of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride
Property Insights of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride
The XLogP value of 4.3408 indicates that Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.35 Ų, Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride has 0 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 Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride?
The CAS number of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride is 855651-85-3.
What is the molecular formula of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride?
The molecular formula of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride is C17H16ClNO2.
What is the molecular weight of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride?
The molecular weight of Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride is 301.09 g/mol.
Where can I buy Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride?
You can request a quote for Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 5,6-dimethoxy-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.