CAS RN: 28443-69-8
4-AMINO-2,3,5-TRICHLOROPYRIDINE, 98
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS28443-69-8
- Purity/Analytical Methods: >99.0%
28443-69-8 / 2,3,5-trichloropyridin-4-amine
Basic Information
CAS
28443-69-8
Multi CAS
Yes
Molecular Formula
C5H3CL3N2
Molecular Weight
197.450000
Exact Mass
195.936181
InChI
InChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey
YYJDUYUWQJWYNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.68
TPSA
38.91
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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