6,7-Dimethoxy-1-pentylisoquinoline
TL;DR: 6,7-Dimethoxy-1-pentylisoquinoline (CAS 802012-56-2) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-pentylisoquinoline
Also Known As: 6,7-dimethoxy-1-pentylisoquinoline, 6,7-dimethoxy-1-pentyl-isoquinoline, Isoquinoline, 6,7-dimethoxy-1-pentyl-
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 802012-56-2 |
|---|---|
| SMILES | CCCCCC1=NC=CC2=CC(=C(C=C21)OC)OC |
| InChIKey | JIMKWKFFZMCETN-UHFFFAOYSA-N |
Product Overview
6,7-Dimethoxy-1-pentylisoquinoline (CAS 802012-56-2), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 6,7-dimethoxy-1-pentylisoquinoline.
Chemical Property Profile of 6,7-Dimethoxy-1-pentylisoquinoline
Property Insights of 6,7-Dimethoxy-1-pentylisoquinoline
The XLogP value of 4.3 indicates that 6,7-Dimethoxy-1-pentylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 6,7-Dimethoxy-1-pentylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1-pentylisoquinoline 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 6,7-Dimethoxy-1-pentylisoquinoline?
The CAS number of 6,7-Dimethoxy-1-pentylisoquinoline is 802012-56-2.
What is the molecular formula of 6,7-Dimethoxy-1-pentylisoquinoline?
The molecular formula of 6,7-Dimethoxy-1-pentylisoquinoline is C16H21NO2.
What is the molecular weight of 6,7-Dimethoxy-1-pentylisoquinoline?
The molecular weight of 6,7-Dimethoxy-1-pentylisoquinoline is 259.16 g/mol.
Where can I buy 6,7-Dimethoxy-1-pentylisoquinoline?
You can request a quote for 6,7-Dimethoxy-1-pentylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-1-pentylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-1-pentylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.