CAS RN: 438450-38-5
3-chloro-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
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.20250705 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS438450-38-5
- Purity/Analytical Methods: >99.0%
438450-38-5 / 3-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
Basic Information
CAS
438450-38-5
Multi CAS
No
Molecular Formula
C9H5CLF3N3
Molecular Weight
247.600000
Exact Mass
247.012409
InChI
InChI=1S/C9H5ClF3N3/c10-6-2-1-4-14-8(6)16-5-3-7(15-16)9(11,12)13/h1-5H
InChIKey
IADZROUQPRNNNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.37
TPSA
30.71
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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