CGS-12066 (maleate salt)
TL;DR: CGS-12066 (maleate salt) (CAS 1350965-83-1) is a chemical compound with molecular formula C21H21F3N4O4 and molecular weight 450.1515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Also Known As: CGS-12066 (maleate salt), CGS-12066A maleate salt, CGS 12066B, cgs 12066b-parent; maleic acid, 4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline maleate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H21F3N4O4 |
| Molecular Weight | 450.1515 g/mol |
| XLogP | 2.9699 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1515 Da |
| Heavy Atoms | 32 |
| Complexity | 569.0 |
| SMILES | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O |
| InChIKey | ZBPAHEUAJMCLRD-UHFFFAOYSA-N |
Chemical Property Profile of CGS-12066 (maleate salt)
Property Insights of CGS-12066 (maleate salt)
The XLogP value of 2.9699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGS-12066 (maleate salt). The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CGS-12066 (maleate salt). Following Lipinski's Rule of Five, CGS-12066 (maleate salt) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CGS-12066 (maleate salt)?
The CAS number of CGS-12066 (maleate salt) is 1350965-83-1.
What is the molecular formula of CGS-12066 (maleate salt)?
The molecular formula of CGS-12066 (maleate salt) is C21H21F3N4O4.
What is the molecular weight of CGS-12066 (maleate salt)?
The molecular weight of CGS-12066 (maleate salt) is 450.1515 g/mol.
Where can I buy CGS-12066 (maleate salt)?
You can request a quote for CGS-12066 (maleate salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CGS-12066 (maleate salt)?
Yes, CoreyChem provides custom synthesis services for CGS-12066 (maleate salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.