CGS 12066B dimaleate
TL;DR: CGS 12066B dimaleate (CAS 109028-10-6) is a chemical compound with molecular formula C21H21F3N4O4 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Also Known As: CGS-12066A maleate, CGS 12066B dimaleate, CGS-12066A maleate salt, CGS-12066 maleate salt, CGS-12066 maleate
| Molecular Formula | C21H21F3N4O4 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 2.9699 |
| Topological Polar Surface Area | 98.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1515 |
| Heavy Atoms | 32 |
| Complexity | 1149.0116 |
Chemical Identifiers
| CAS Number | 109028-10-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
CGS 12066B dimaleate (CAS 109028-10-6), with molecular formula C21H21F3N4O4 and molecular weight 450.15 g/mol. IUPAC: (Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.
Chemical Property Profile of CGS 12066B dimaleate
Property Insights of CGS 12066B dimaleate
The XLogP value of 2.9699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGS 12066B dimaleate. The TPSA of 98.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CGS 12066B dimaleate. Following Lipinski's Rule of Five, CGS 12066B dimaleate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CGS 12066B dimaleate?
The CAS number of CGS 12066B dimaleate is 109028-10-6.
What is the molecular formula of CGS 12066B dimaleate?
The molecular formula of CGS 12066B dimaleate is C21H21F3N4O4.
What is the molecular weight of CGS 12066B dimaleate?
The molecular weight of CGS 12066B dimaleate is 450.15 g/mol.
Where can I buy CGS 12066B dimaleate?
You can request a quote for CGS 12066B dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CGS 12066B dimaleate?
Yes, KEHONG BIO provides custom synthesis services for CGS 12066B dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.