6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline
TL;DR: 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline (CAS 88813-86-9) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline
Also Known As: M 78, 6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline, 6,7-Dimethoxy-1-(phenylethynyl)-3,4-dihydroisoquinoline
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.1007 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 767.25757 |
Chemical Identifiers
| CAS Number | 88813-86-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2C#CC3=CC=CC=C3)OC |
Product Overview
6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline (CAS 88813-86-9), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: 6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline.
Chemical Property Profile of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline
Property Insights of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline
The XLogP value of 3.1007 indicates that 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.82 Ų, 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline 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-(2-phenylethynyl)-3,4-dihydroisoquinoline?
The CAS number of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline is 88813-86-9.
What is the molecular formula of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline?
The molecular formula of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline is C19H17NO2.
What is the molecular weight of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline?
The molecular weight of 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline is 291.13 g/mol.
Where can I buy 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline?
You can request a quote for 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline 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-(2-phenylethynyl)-3,4-dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-1-(2-phenylethynyl)-3,4-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.