![CAS 1185313-62-5 3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C11H14Cl2F3N3, MW: 316.15 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185313-62-5.gif)
CAS RN: 1185313-62-5
3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C11H14Cl2F3N3, MW: 316.15
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.20250219 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-62-5
- Purity/Analytical Methods: >99.0%
1185313-62-5 / 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;hydrochloride
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-amine hydrochloride | 3'-Chloro-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylamine hydrochloride | 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine;hydrochloride
Basic Information
CAS
1185313-62-5
Multi CAS
Yes
Molecular Formula
C11H14Cl2F3N3
Molecular Weight
316.150000
Exact Mass
315.051687
SMILES
C1CC(CN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)N.Cl
InChI
InChI=1S/C11H13ClF3N3.ClH/c12-9-4-7(11(13,14)15)5-17-10(9)18-3-1-2-8(16)6-18;/h4-5,8H,1-3,6,16H2;1H
InChIKey
PWSQTNIBXRBNFE-UHFFFAOYSA-N
Synonyms
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-amine hydrochloride
3'-Chloro-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylamine hydrochloride
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine;hydrochloride
SCHEMBL28597331
DTXSID90671541
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.92
TPSA
42.15
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.45
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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