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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
56456-51-0 / [2-chloro-4-(trifluoromethyl)phenyl]methanol
Basic Information
CAS
56456-51-0
Multi CAS
Yes
Molecular Formula
C8H6CLF3O
Molecular Weight
210.580000
Exact Mass
210.005927
InChI
InChI=1S/C8H6ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChIKey
GMZPPTCATYZORA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.38
TPSA
20.23
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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1-[4-(Trifluoromethoxy)phenyl]butan-1-one
- CAS RN: 56465-82-8
- Product Code: starshine_CAS56465-82-8
- Purity/Analytical method: >99.0%
![CAS 56465-82-8 1-[4-(Trifluoromethoxy)phenyl]butan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56465-82-8.gif)