CAS RN: 55686-95-8
QUINOXALINE, 2,3-DICHLORO-6-(TRIFLUOROMETHYL)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS55686-95-8
- Purity/Analytical Methods: >99.0%
55686-95-8 / 2,3-dichloro-6-(trifluoromethyl)quinoxaline
Basic Information
CAS
55686-95-8
Multi CAS
No
Molecular Formula
C9H3CL2F3N2
Molecular Weight
267.030000
Exact Mass
265.962538
InChI
InChI=1S/C9H3Cl2F3N2/c10-7-8(11)16-6-3-4(9(12,13)14)1-2-5(6)15-7/h1-3H
InChIKey
JJTQVWHSMBWEJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
54.56
TPSA
25.78
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-chloroquinoxalin-6-ol
- CAS RN: 55687-04-2
- Product Code: starshine_CAS55687-04-2
- Purity/Analytical method: >99.0%
-
-
-
