![1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime structure](/static/products/858/858764-26-8.png)
1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime
TL;DR: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime (CAS 858764-26-8) is a chemical compound with molecular formula C25H36N2O4 and molecular weight 428.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-ylidene]hydroxylamine
Also Known As: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime, N-[1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-ylidene]hydroxylamine
| Molecular Formula | C25H36N2O4 |
|---|---|
| Molecular Weight | 428.27 g/mol |
| LogP | 5.502 |
| Topological Polar Surface Area | 63.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.26752 |
| Heavy Atoms | 31 |
| Complexity | 859.9985 |
Chemical Identifiers
| CAS Number | 858764-26-8 |
|---|---|
| SMILES | CC(=CCC(CC=C(C)C)C(=NO)CC1C2=C(C3=C(C=C2CCN1C)OCO3)OC)C |
Product Overview
1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime (CAS 858764-26-8), with molecular formula C25H36N2O4 and molecular weight 428.27 g/mol. IUPAC: N-[1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-ylidene]hydroxylamine.
Chemical Property Profile of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime
Property Insights of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime
The XLogP value of 5.502 indicates that 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime. Following Lipinski's Rule of Five, 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime?
The CAS number of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime is 858764-26-8.
What is the molecular formula of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime?
The molecular formula of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime is C25H36N2O4.
What is the molecular weight of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime?
The molecular weight of 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime is 428.27 g/mol.
Where can I buy 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime?
You can request a quote for 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.