6-Benzyloxy-7-methoxyisoquinoline
TL;DR: 6-Benzyloxy-7-methoxyisoquinoline (CAS 78004-28-1) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-6-phenylmethoxyisoquinoline
Also Known As: 6-benzyloxy-7-methoxyisoquinoline, 7-methoxy-6-(benzyloxy)Isoquinoline, 7-methoxy-6-phenylmethoxyisoquinoline
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 78004-28-1 |
|---|---|
| SMILES | COC1=C(C=C2C=CN=CC2=C1)OCC3=CC=CC=C3 |
| InChIKey | KDPCECJIDYQQEF-UHFFFAOYSA-N |
Product Overview
6-Benzyloxy-7-methoxyisoquinoline (CAS 78004-28-1), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: 7-methoxy-6-phenylmethoxyisoquinoline.
Chemical Property Profile of 6-Benzyloxy-7-methoxyisoquinoline
Property Insights of 6-Benzyloxy-7-methoxyisoquinoline
The XLogP value of 3.5 indicates that 6-Benzyloxy-7-methoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 6-Benzyloxy-7-methoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzyloxy-7-methoxyisoquinoline 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 6-Benzyloxy-7-methoxyisoquinoline?
The CAS number of 6-Benzyloxy-7-methoxyisoquinoline is 78004-28-1.
What is the molecular formula of 6-Benzyloxy-7-methoxyisoquinoline?
The molecular formula of 6-Benzyloxy-7-methoxyisoquinoline is C17H15NO2.
What is the molecular weight of 6-Benzyloxy-7-methoxyisoquinoline?
The molecular weight of 6-Benzyloxy-7-methoxyisoquinoline is 265.11 g/mol.
Where can I buy 6-Benzyloxy-7-methoxyisoquinoline?
You can request a quote for 6-Benzyloxy-7-methoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyloxy-7-methoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyloxy-7-methoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.