![4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/859/859666-10-7.png)
4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline (CAS 859666-10-7) is a chemical compound with molecular formula C25H33N5O3 and molecular weight 451.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, 5-(1-(1-((3r,5r,7r)-adamantan-1-yl)ethyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C25H33N5O3 |
|---|---|
| Molecular Weight | 451.26 g/mol |
| LogP | 3.7651 |
| Topological Polar Surface Area | 74.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.25833 |
| Heavy Atoms | 33 |
| Complexity | 1062.6676 |
Chemical Identifiers
| CAS Number | 859666-10-7 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)N4C(=NN=N4)C5C6=C(C7=C(C=C6CCN5C)OCO7)OC |
Product Overview
4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline (CAS 859666-10-7), with molecular formula C25H33N5O3 and molecular weight 451.26 g/mol. IUPAC: 5-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 3.7651 indicates that 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline. Following Lipinski's Rule of Five, 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 7 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-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline is 859666-10-7.
What is the molecular formula of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline is C25H33N5O3.
What is the molecular weight of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline is 451.26 g/mol.
Where can I buy 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-6-methyl-5-{1-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1H-tetrazol-5-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.