CAS RN: 893444-21-8
3-Nitro-6-(trifluoromethyl)pyridin-2-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251025 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS893444-21-8
- Purity/Analytical Methods: >99.0%
893444-21-8 / 3-nitro-6-(trifluoromethyl)pyridin-2-amine
Basic Information
CAS
893444-21-8
Multi CAS
No
Molecular Formula
C6F3H4N3O2
Molecular Weight
207.110000
Exact Mass
207.025561
InChI
InChI=1S/C6H4F3N3O2/c7-6(8,9)4-2-1-3(12(13)14)5(10)11-4/h1-2H,(H2,10,11)
InChIKey
YSMYCFONKCAXBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.31
TPSA
82.05
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
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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