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5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol structure
Fine Chemical

5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol

TL;DR: 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol (CAS 82-54-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

Also Known As: Cotarnine, Stypticin, COTARNIN, COTARNINE [MI], COTARNINE [WHO-DD]

CAS Number
82-54-2
Molecular Formula
C12H15NO4
Molecular Weight
237.10011 g/mol
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Application Areas

Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (25 patents) Biotechnology (3 patents) Coatings & Adhesives (1 patents) Heterocyclic Building Blocks (40 patents) Organic Building Blocks (5 patents)

Technical Specifications

Molecular FormulaC12H15NO4
Molecular Weight237.10011 g/mol
XLogP1.0
Topological Polar Surface Area (TPSA)51.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds1
Exact Mass237.10011 Da
Heavy Atoms17
Complexity288.0
SMILESCN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
InChIKeyPAPMYQLKLNRZIR-UHFFFAOYSA-N

Product Description

Applications: 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A heterocyclic building block supplied by CoreyChem, 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol (CAS 82-54-2) has the molecular formula C12H15NO4 and a molecular weight of 237.1 g/mol. Synonyms include Cotarnine and Stypticin.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol

XLogP
1.0
TPSA (Topological Polar Surface Area)
51.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
17
Complexity
288.0
Exact Mass
237.10011
Monoisotopic Mass
237.10011
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol

The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol. With a topological polar surface area (TPSA) of 51.2 Ų, 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

The CAS number of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol is 82-54-2.

What is the molecular formula of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

The molecular formula of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol is C12H15NO4.

What is the molecular weight of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

The molecular weight of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol is 237.10011 g/mol.

What are the applications of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis....

Where can I buy 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

You can request a quote for 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol?

Yes, CoreyChem provides custom synthesis services for 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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