![CAS 1350965-83-1 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350965-83-1.gif)
CAS RN: 1350965-83-1
7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1350965-83-1
- Purity/Analytical Methods: >99.0%
1350965-83-1 / (Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Basic Information
CAS
1350965-83-1
Multi CAS
No
Molecular Formula
C21H21F3N4O4
Molecular Weight
450.400000
Exact Mass
450.151490
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C17H17F3N4.C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKey
ZBPAHEUAJMCLRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.82
TPSA
98.38
LogP / Solubility
WLOGP
2.97
MLOGP
2.64
XLogP3
2.97
Consensus LogP
2.86
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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