1-Benzyl-6,7-dimethoxyisochinolin
TL;DR: 1-Benzyl-6,7-dimethoxyisochinolin (CAS 23818-73-7) 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.
1-benzyl-6,7-dimethoxyisoquinoline
Also Known As: Papaverine Impurity 33, 1-benzyl-6,7-dimethoxyisoquinoline, 1-Benzyl-6,7-dimethoxyisochinolin, Isoquinoline, 6,7-dimethoxy-1-(phenylmethyl)-
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 23818-73-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=CC=C3)OC |
| InChIKey | FDEYTMQYESXADG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-6,7-dimethoxyisochinolin (CAS 23818-73-7), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 1-benzyl-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 1-Benzyl-6,7-dimethoxyisochinolin
Property Insights of 1-Benzyl-6,7-dimethoxyisochinolin
The XLogP value of 4.0 indicates that 1-Benzyl-6,7-dimethoxyisochinolin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 1-Benzyl-6,7-dimethoxyisochinolin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-6,7-dimethoxyisochinolin 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 1-Benzyl-6,7-dimethoxyisochinolin?
The CAS number of 1-Benzyl-6,7-dimethoxyisochinolin is 23818-73-7.
What is the molecular formula of 1-Benzyl-6,7-dimethoxyisochinolin?
The molecular formula of 1-Benzyl-6,7-dimethoxyisochinolin is C18H17NO2.
What is the molecular weight of 1-Benzyl-6,7-dimethoxyisochinolin?
The molecular weight of 1-Benzyl-6,7-dimethoxyisochinolin is 279.13 g/mol.
Where can I buy 1-Benzyl-6,7-dimethoxyisochinolin?
You can request a quote for 1-Benzyl-6,7-dimethoxyisochinolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-6,7-dimethoxyisochinolin?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-6,7-dimethoxyisochinolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.