CAS RN: 581812-93-3
1-CYCLOPROPYL-1-(4-TRIFLUOROMETHYLPHENYL)METHYLAMINE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-166420
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
581812-93-3 / cyclopropyl-[4-(trifluoromethyl)phenyl]methanamine
Basic Information
CAS
581812-93-3
Multi CAS
No
Molecular Formula
C11F3H12N
Molecular Weight
215.210000
Exact Mass
215.092184
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-5-3-8(4-6-9)10(15)7-1-2-7/h3-7,10H,1-2,15H2
InChIKey
ZQGDJHVPZJFVNX-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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