CAS RN: 498581-24-1
3-(trifluoromethyl)pentan-3-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260204 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS498581-24-1
- Purity/Analytical Methods: >99.0%
498581-24-1 / 3-(trifluoromethyl)pentan-3-amine;hydrochloride
Basic Information
CAS
498581-24-1
Multi CAS
No
Molecular Formula
C6H13CLF3N
Molecular Weight
191.620000
Exact Mass
191.068862
InChI
InChI=1S/C6H12F3N.ClH/c1-3-5(10,4-2)6(7,8)9;/h3-4,10H2,1-2H3;1H
InChIKey
TZZRJHPOIFSVBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.8
TPSA
26.02
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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