CAS RN: 210821-63-9
1-(6-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine hydrochloride
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.20260609 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210821-63-9
- Purity/Analytical Methods: >99.0%
210821-63-9 / 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
Basic Information
CAS
210821-63-9
Multi CAS
No
Molecular Formula
C10H12Cl2F3N3
Molecular Weight
302.120000
Exact Mass
301.036037
SMILES
C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)Cl.Cl
InChI
InChI=1S/C10H11ClF3N3.ClH/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17;/h1-2,15H,3-6H2;1H
InChIKey
FVDILXYXZAAJOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.58
TPSA
28.16
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.59
Consensus LogP
2.49
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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