CAS RN: 1417794-23-0
3-Chloro-2-(piperidin-4-yloxy)-5-trifluoroMethyl-pyridine hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417794-23-0
- Purity/Analytical Methods: >99.0%
1417794-23-0 / 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine;hydrochloride
Basic Information
CAS
1417794-23-0
Multi CAS
No
Molecular Formula
C11H13Cl2F3N2O
Molecular Weight
317.130000
Exact Mass
316.035703
SMILES
C1CNCCC1OC2=C(C=C(C=N2)C(F)(F)F)Cl.Cl
InChI
InChI=1S/C11H12ClF3N2O.ClH/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8;/h5-6,8,16H,1-4H2;1H
InChIKey
DBJQGGQITMSNOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.02
TPSA
34.15
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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