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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1824624-51-2 / [4-(trifluoromethyl)-1,3-oxazol-5-yl]methanol
Basic Information
CAS
1824624-51-2
Multi CAS
No
Molecular Formula
C5H4F3NO2
Molecular Weight
167.090000
Exact Mass
167.019413
SMILES
C1=NC(=C(O1)CO)C(F)(F)F
InChI
InChI=1S/C5H4F3NO2/c6-5(7,8)4-3(1-10)11-2-9-4/h2,10H,1H2
InChIKey
CZNDWSTXFINVTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.43
TPSA
46.26
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
0.4
Consensus LogP
0.88
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.9
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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