![10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine structure](/static/products/858/858764-37-1.png)
10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine
TL;DR: 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine (CAS 858764-37-1) is a chemical compound with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine, 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, 5-(3-(10H-phenothiazin-10-yl)prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C27H24N2O3S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 5.2592 |
| Topological Polar Surface Area | 34.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.15076 |
| Heavy Atoms | 33 |
| Complexity | 1250.7545 |
Chemical Identifiers
| CAS Number | 858764-37-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C#CCN4C5=CC=CC=C5SC6=CC=CC=C64)OC)OCO3 |
Product Overview
10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine (CAS 858764-37-1), with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol. IUPAC: 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine
Property Insights of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine
The XLogP value of 5.2592 indicates that 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.17 Ų, 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine?
The CAS number of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine is 858764-37-1.
What is the molecular formula of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine?
The molecular formula of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine is C27H24N2O3S.
What is the molecular weight of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine?
The molecular weight of 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine is 456.15 g/mol.
Where can I buy 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine?
You can request a quote for 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 10-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-10H-phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.