![4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one structure](/static/products/4780/478020-05-2.webp)
4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one
TL;DR: 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one (CAS 478020-05-2) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one
Also Known As: 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one, 4-Chlor-6-isopropyl-3-methyl-2-piperidinomethyl-phenol, 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6, 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one, 4-(8-Hydroxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)butan-2-one
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 478020-05-2 |
|---|---|
| SMILES | CC(=O)CCN1CC(C2=CC3=C(C=C2C1)OCO3)O |
| InChIKey | DOCFTWOBHIMVHN-UHFFFAOYSA-N |
Product Overview
4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one (CAS 478020-05-2), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one.
Chemical Property Profile of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one
Property Insights of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one. With a topological polar surface area (TPSA) of 59.0 Ų, 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-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-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one?
The CAS number of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one is 478020-05-2.
What is the molecular formula of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one?
The molecular formula of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one is C14H17NO4.
What is the molecular weight of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one?
The molecular weight of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one is 263.12 g/mol.
Where can I buy 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one?
You can request a quote for 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-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-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.