6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline
TL;DR: 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline (CAS 439213-28-2) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline
Also Known As: 6-butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline, Isoquinoline, 6-butoxy-3,4-dihydro-7-methoxy-1-methyl-
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 439213-28-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C2C(=NCCC2=C1)C)OC |
| InChIKey | MELXCRDFJHMZCA-UHFFFAOYSA-N |
Product Overview
6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline (CAS 439213-28-2), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 6-butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline.
Chemical Property Profile of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline
Property Insights of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline. With a topological polar surface area (TPSA) of 30.8 Ų, 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Butoxy-7-methoxy-1-methyl-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-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline?
The CAS number of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline is 439213-28-2.
What is the molecular formula of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline?
The molecular formula of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline is C15H21NO2.
What is the molecular weight of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline?
The molecular weight of 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline is 247.16 g/mol.
Where can I buy 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline?
You can request a quote for 6-Butoxy-7-methoxy-1-methyl-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-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.