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CAS 109028-09-3 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt molecular structure lightbox
CAS RN: 109028-09-3

7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS109028-09-3
  • Purity/Analytical Methods: >99.0%
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109028-09-3 / 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

CGS 12066B-parent | Cgs 12066 | CGS-12066

Standard CAS: 109028-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109028-09-3
Multi CAS
Yes
Molecular Formula
C17H17F3N4
Molecular Weight
334.340000
Exact Mass
334.140531
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C17H17F3N4/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/h2-6,11H,7-10H2,1H3
InChIKey
LXFHSCDLMBZYKY-UHFFFAOYSA-N
Synonyms
CGS 12066B-parent Cgs 12066 CGS-12066 5TB4SXQ7HG CGS12066

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
13
Fraction Csp3
0.35
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
87.41
TPSA
23.78

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
4
Consensus LogP
3.38
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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