![CAS 856563-00-3 (1R)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/856563-00-3.gif)
CAS RN: 856563-00-3
(1R)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE 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.20260515 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS856563-00-3
- Purity/Analytical Methods: >99.0%
856563-00-3 / 1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
Basic Information
CAS
856563-00-3
Multi CAS
Yes
Molecular Formula
C10H13CLF3N
Molecular Weight
239.660000
Exact Mass
239.068862
InChI
InChI=1S/C10H12F3N.ClH/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h3-6,9H,2,14H2,1H3;1H
InChIKey
ABYUHMWSIOTQKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.91
TPSA
26.02
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
3.54
Consensus LogP
3.4
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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