![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-(propan-2-yl)benzamide structure](/static/products/859/859666-91-4.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-(propan-2-yl)benzamide
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-(propan-2-yl)benzamide (CAS 859666-91-4) is a chemical compound with molecular formula C23H26N6O4 and molecular weight 450.20 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-propan-2-ylbenzamide
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-(propan-2-yl)benzamide, 4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-propan-2-ylbenzamide, N-isopropyl-4-(5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl)benzamide
| Molecular Formula | C23H26N6O4 |
|---|---|
| Molecular Weight | 450.20 g/mol |
| LogP | 2.1151 |
| Topological Polar Surface Area | 103.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.20154 |
| Heavy Atoms | 33 |
| Complexity | 1190.4075 |
Chemical Identifiers
| CAS Number | 859666-91-4 |
|---|---|
| SMILES | CC(C)NC(=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-(propan-2-yl)benzamide (CAS 859666-91-4), with molecular formula C23H26N6O4 and molecular weight 450.20 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-propan-2-ylbenzamide.
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-(propan-2-yl)benzamide
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-(propan-2-yl)benzamide
The XLogP value of 2.1151 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-(propan-2-yl)benzamide. 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-(propan-2-yl)benzamide. 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-(propan-2-yl)benzamide 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-(propan-2-yl)benzamide?
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-(propan-2-yl)benzamide is 859666-91-4.
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-(propan-2-yl)benzamide?
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-(propan-2-yl)benzamide is C23H26N6O4.
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-(propan-2-yl)benzamide?
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-(propan-2-yl)benzamide is 450.20 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-(propan-2-yl)benzamide?
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-(propan-2-yl)benzamide 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-(propan-2-yl)benzamide?
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-(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.