CAS RN: 886-35-1
3,5-BIS(TRIFLUOROMETHYL)PHENYLHYDRAZINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS886-35-1
- Purity/Analytical Methods: >99.0%
886-35-1 / [3,5-bis(trifluoromethyl)phenyl]hydrazine
Basic Information
CAS
886-35-1
Multi CAS
Yes
Molecular Formula
C8F6H6N2
Molecular Weight
244.140000
Exact Mass
244.043517
InChI
InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
InChIKey
OULWACKZBGBRNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.26
TPSA
38.05
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3.5
Consensus LogP
3.05
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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