anthra(1,9-cd)pyrazol-6(2H)-one
TL;DR: anthra(1,9-cd)pyrazol-6(2H)-one (CAS 129-56-6) is a chemical compound with molecular formula C14H8N2O and molecular weight 220.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Also Known As: 1,9-Pyrazoloanthrone, Pyrazolanthrone, Pyrazoleanthrone, Dibenzo[cd,g]indazol-6(2H)-one, JNK Inhibitor II
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H8N2O |
| Molecular Weight | 220.06366 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.06366 Da |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
| SMILES | C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O |
| InChIKey | ACPOUJIDANTYHO-UHFFFAOYSA-N |
Product Description
Applications: anthra(1,9-cd)pyrazol-6(2H)-one is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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 pharmaceutical intermediate supplied by CoreyChem, anthra(1,9-cd)pyrazol-6(2H)-one (CAS 129-56-6) has the molecular formula C14H8N2O and a molecular weight of 220.06 g/mol. Synonyms include 1,9-Pyrazoloanthrone and Pyrazolanthrone.
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 anthra(1,9-cd)pyrazol-6(2H)-one
Property Insights of anthra(1,9-cd)pyrazol-6(2H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anthra(1,9-cd)pyrazol-6(2H)-one. With a topological polar surface area (TPSA) of 45.8 Ų, anthra(1,9-cd)pyrazol-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anthra(1,9-cd)pyrazol-6(2H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of anthra(1,9-cd)pyrazol-6(2H)-one?
The CAS number of anthra(1,9-cd)pyrazol-6(2H)-one is 129-56-6.
What is the molecular formula of anthra(1,9-cd)pyrazol-6(2H)-one?
The molecular formula of anthra(1,9-cd)pyrazol-6(2H)-one is C14H8N2O.
What is the molecular weight of anthra(1,9-cd)pyrazol-6(2H)-one?
The molecular weight of anthra(1,9-cd)pyrazol-6(2H)-one is 220.06366 g/mol.
What are the applications of anthra(1,9-cd)pyrazol-6(2H)-one?
anthra(1,9-cd)pyrazol-6(2H)-one is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy anthra(1,9-cd)pyrazol-6(2H)-one?
You can request a quote for anthra(1,9-cd)pyrazol-6(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for anthra(1,9-cd)pyrazol-6(2H)-one?
Yes, CoreyChem provides custom synthesis services for anthra(1,9-cd)pyrazol-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.