CAS RN: 64139-78-2
3-amino-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-ol
- Product code: SSC-173900
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
64139-78-2 / 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Basic Information
CAS
64139-78-2
Multi CAS
No
Molecular Formula
C4F6H5NO
Molecular Weight
197.080000
Exact Mass
197.027533
InChI
InChI=1S/C4H5F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H,1,11H2
InChIKey
QGLIOTYTGRWVPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.11
TPSA
46.25
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.35
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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