![5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline structure](/static/products/708/708296-23-5.png)
5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 708296-23-5) is a chemical compound with molecular formula C22H20N2O3S2 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, 5-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C22H20N2O3S2 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 4.3583 |
| Topological Polar Surface Area | 43.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.09152 |
| Heavy Atoms | 29 |
| Complexity | 1099.2683 |
Chemical Identifiers
| CAS Number | 708296-23-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C#CCSC4=NC5=CC=CC=C5S4)OC)OCO3 |
Product Overview
5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 708296-23-5), with molecular formula C22H20N2O3S2 and molecular weight 424.09 g/mol. IUPAC: 5-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 4.3583 indicates that 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-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. With a topological polar surface area (TPSA) of 43.82 Ų, 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-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-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 708296-23-5.
What is the molecular formula of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C22H20N2O3S2.
What is the molecular weight of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 424.09 g/mol.
Where can I buy 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 5-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-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-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-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-(3-(benzo[d]thiazol-2-ylthio)prop-1-yn-1-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.