![4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide structure](/static/products/859/859658-71-2.png)
4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide
TL;DR: 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide (CAS 859658-71-2) is a chemical compound with molecular formula C21H22N6O4 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-methylbenzamide
Also Known As: 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide, 4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]-N-methylbenzamide, 4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-methylbenzamide
| Molecular Formula | C21H22N6O4 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 1.3365 |
| Topological Polar Surface Area | 103.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.17026 |
| Heavy Atoms | 31 |
| Complexity | 1143.5168 |
Chemical Identifiers
| CAS Number | 859658-71-2 |
|---|---|
| SMILES | CNC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC |
Product Overview
4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide (CAS 859658-71-2), with molecular formula C21H22N6O4 and molecular weight 422.17 g/mol. IUPAC: 4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-methylbenzamide.
Chemical Property Profile of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide
Property Insights of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide
The XLogP value of 1.3365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide. The TPSA of 103.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide. Following Lipinski's Rule of Five, 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide has 1 hydrogen bond donor(s) and 8 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-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide?
The CAS number of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide is 859658-71-2.
What is the molecular formula of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide?
The molecular formula of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide is C21H22N6O4.
What is the molecular weight of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide?
The molecular weight of 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide is 422.17 g/mol.
Where can I buy 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide?
You can request a quote for 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)-N-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.