![5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/401/401466-79-3.png)
5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 401466-79-3) is a chemical compound with molecular formula C26H23Cl2N5O3 and molecular weight 523.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[bis(2-chlorophenyl)methyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-[1-[bis(2-chlorophenyl)methyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, 5-{1-[bis(2-chlorophenyl)methyl]-1H-tetrazol-5-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C26H23Cl2N5O3 |
|---|---|
| Molecular Weight | 523.12 g/mol |
| LogP | 4.9322 |
| Topological Polar Surface Area | 74.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.1178 |
| Heavy Atoms | 36 |
| Complexity | 1397.6044 |
Chemical Identifiers
| CAS Number | 401466-79-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C4=NN=NN4C(C5=CC=CC=C5Cl)C6=CC=CC=C6Cl)OC)OCO3 |
Product Overview
5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 401466-79-3), with molecular formula C26H23Cl2N5O3 and molecular weight 523.12 g/mol. IUPAC: 5-[1-[bis(2-chlorophenyl)methyl]tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 4.9322 indicates that 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-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 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. Following Lipinski's Rule of Five, 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 401466-79-3.
What is the molecular formula of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C26H23Cl2N5O3.
What is the molecular weight of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 523.12 g/mol.
Where can I buy 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-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 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-(bis(2-chlorophenyl)methyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-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.