![5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/859/859140-79-7.png)
5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 859140-79-7) is a chemical compound with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, 5-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C20H20ClN5O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.93872 |
| Topological Polar Surface Area | 74.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.12546 |
| Heavy Atoms | 29 |
| Complexity | 1099.9609 |
Chemical Identifiers
| CAS Number | 859140-79-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=N2)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)Cl |
Product Overview
5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 859140-79-7), with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol. IUPAC: 5-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 2.93872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. The TPSA of 74.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 859140-79-7.
What is the molecular formula of 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C20H20ClN5O3.
What is the molecular weight of 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 413.13 g/mol.
Where can I buy 5-(1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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.