4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
TL;DR: 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one (CAS 167398-28-9) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
Also Known As: 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one, 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)butan-2-one, 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)b, 2-Butanone,4-(3,4-dihydro-4,6-dihydroxy-7-methoxy-2(1H)-isoquinolinyl), 2-Butanone,4-(3,4-dihydro-4-hydroxy-6,7-dimethoxy-2(1H)-isoquinolinyl)-
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 167398-28-9 |
|---|---|
| SMILES | CC(=O)CCN1CC(C2=CC(=C(C=C2C1)OC)OC)O |
| InChIKey | OXOIRASLXWAYFP-UHFFFAOYSA-N |
Product Overview
4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one (CAS 167398-28-9), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one.
Chemical Property Profile of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
Property Insights of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one. With a topological polar surface area (TPSA) of 59.0 Ų, 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one has 1 hydrogen bond donor(s) and 5 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 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one?
The CAS number of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one is 167398-28-9.
What is the molecular formula of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one?
The molecular formula of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one is C15H21NO4.
What is the molecular weight of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one?
The molecular weight of 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one is 279.15 g/mol.
Where can I buy 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one?
You can request a quote for 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.