![CAS 1292498-24-8 3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292498-24-8.gif)
CAS RN: 1292498-24-8
3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251026 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1292498-24-8
- Purity/Analytical Methods: >99.0%
1292498-24-8 / 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
Basic Information
CAS
1292498-24-8
Multi CAS
No
Molecular Formula
C11H12ClF3N2O
Molecular Weight
280.670000
Exact Mass
280.059025
SMILES
C1CC(CN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)O
InChI
InChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(18)6-17/h4-5,8,18H,1-3,6H2
InChIKey
XKXAPRXSPBBLOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.7
TPSA
36.36
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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