CAS RN: 1361890-39-2
2-Chloro-5-trifluoromethoxy-pyridin-4-ylamine
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.20260219 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1361890-39-2
- Purity/Analytical Methods: >99.0%
1361890-39-2 / 2-chloro-5-(trifluoromethoxy)pyridin-4-amine
Basic Information
CAS
1361890-39-2
Multi CAS
No
Molecular Formula
C6H4ClF3N2O
Molecular Weight
212.560000
Exact Mass
211.996425
SMILES
C1=C(C(=CN=C1Cl)OC(F)(F)F)N
InChI
InChI=1S/C6H4ClF3N2O/c7-5-1-3(11)4(2-12-5)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKey
ABXRSIIWRAWMOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.34
TPSA
48.14
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.44
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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