1-(4-Methoxybenzyl)isoquinoline
TL;DR: 1-(4-Methoxybenzyl)isoquinoline (CAS 10172-49-3) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]isoquinoline
Also Known As: 1-(4-Methoxybenzyl)isoquinoline, starbld0032206, 1-[(4-methoxyphenyl)methyl]isoquinoline, 1-(4-Methoxybenzyl)-isoquinoline, Isoquinoline, 1-[(4-methoxyphenyl)methyl]-
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 10172-49-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32 |
| InChIKey | BYWUJWHEAQYATL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxybenzyl)isoquinoline (CAS 10172-49-3), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]isoquinoline.
Chemical Property Profile of 1-(4-Methoxybenzyl)isoquinoline
Property Insights of 1-(4-Methoxybenzyl)isoquinoline
The XLogP value of 4.0 indicates that 1-(4-Methoxybenzyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.1 Ų, 1-(4-Methoxybenzyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)isoquinoline has 0 hydrogen bond donor(s) and 2 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 1-(4-Methoxybenzyl)isoquinoline?
The CAS number of 1-(4-Methoxybenzyl)isoquinoline is 10172-49-3.
What is the molecular formula of 1-(4-Methoxybenzyl)isoquinoline?
The molecular formula of 1-(4-Methoxybenzyl)isoquinoline is C17H15NO.
What is the molecular weight of 1-(4-Methoxybenzyl)isoquinoline?
The molecular weight of 1-(4-Methoxybenzyl)isoquinoline is 249.12 g/mol.
Where can I buy 1-(4-Methoxybenzyl)isoquinoline?
You can request a quote for 1-(4-Methoxybenzyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxybenzyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.