Anthrapyrazole
TL;DR: Anthrapyrazole (CAS 91440-30-1) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
Also Known As: Anthrapyrazole, Oxanthrazole, Anthrapyrazoles, J3.067.390E, Anthra(1,9-cd)pyrazol-6(2H)-one, 2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H27N5O3 |
| Molecular Weight | 409.2114 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 409.2114 Da |
| Heavy Atoms | 30 |
| Complexity | 565.0 |
| SMILES | C1=CC=C2C(=C1)C3=NN(C4=C3C(=C(C=C4)NCCNCCO)C2=O)CCNCCO |
| InChIKey | VHKZUBOWZGHDQA-UHFFFAOYSA-N |
Chemical Property Profile of Anthrapyrazole
Property Insights of Anthrapyrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthrapyrazole. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthrapyrazole. Following Lipinski's Rule of Five, Anthrapyrazole has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Anthrapyrazole?
The CAS number of Anthrapyrazole is 91440-30-1.
What is the molecular formula of Anthrapyrazole?
The molecular formula of Anthrapyrazole is C22H27N5O3.
What is the molecular weight of Anthrapyrazole?
The molecular weight of Anthrapyrazole is 409.2114 g/mol.
Where can I buy Anthrapyrazole?
You can request a quote for Anthrapyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anthrapyrazole?
Yes, CoreyChem provides custom synthesis services for Anthrapyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.