CAS RN: 451503-31-4
(S)-PHENYL(4-(TRIFLUOROMETHYL)PHENYL)METHANAMINE 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.20250203 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS451503-31-4
- Purity/Analytical Methods: >99.0%
451503-31-4 / (S)-phenyl-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
Basic Information
CAS
451503-31-4
Multi CAS
No
Molecular Formula
C14H13CLF3N
Molecular Weight
287.710000
Exact Mass
287.068862
InChI
InChI=1S/C14H12F3N.ClH/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9,13H,18H2;1H/t13-;/m0./s1
InChIKey
GBAYOLGIVQKGRO-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.16
TPSA
26.02
LogP / Solubility
WLOGP
4.18
MLOGP
3.68
XLogP3
4.18
Consensus LogP
4.01
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
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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