![CAS 59382-27-3 cyclopropyl[3-(trifluoromethyl)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59382-27-3.gif)
CAS RN: 59382-27-3
cyclopropyl[3-(trifluoromethyl)phenyl]methanamine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS59382-27-3
- Purity/Analytical Methods: >99.0%
59382-27-3 / cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine
Basic Information
CAS
59382-27-3
Multi CAS
Yes
Molecular Formula
C11F3H12N
Molecular Weight
215.210000
Exact Mass
215.092184
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7,10H,4-5,15H2
InChIKey
NSVKYISBQIIXQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.1
TPSA
26.02
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
2.4
Consensus LogP
2.75
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.82
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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