Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-
TL;DR: Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- (CAS 52947-33-8) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-methyl-3-phenylisoquinoline
Also Known As: 6,7-dimethoxy-1-methyl-3-phenylisoquinoline, BAS 01280290, Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-, 6,7-Dimethoxy-1-methyl-3-phenyl-isoquinoline, RefChem:350050
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 52947-33-8 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC=CC=C3 |
| InChIKey | CNRULMULIHQYDS-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- (CAS 52947-33-8), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 6,7-dimethoxy-1-methyl-3-phenylisoquinoline.
Chemical Property Profile of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-
Property Insights of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-
The XLogP value of 4.1 indicates that Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- 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, 6,7-dimethoxy-1-methyl-3-phenyl-?
The CAS number of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- is 52947-33-8.
What is the molecular formula of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-?
The molecular formula of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- is C18H17NO2.
What is the molecular weight of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-?
The molecular weight of Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- is 279.13 g/mol.
Where can I buy Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-?
You can request a quote for Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 6,7-dimethoxy-1-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.