CAS RN: 89524-18-5
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260511 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS89524-18-5
- Purity/Analytical Methods: >99.0%
89524-18-5 / (E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
Basic Information
CAS
89524-18-5
Multi CAS
Yes
Molecular Formula
C10F3H9O
Molecular Weight
202.170000
Exact Mass
202.060549
InChI
InChI=1S/C10H9F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7,9,14H/b7-6+
InChIKey
TWENPNDYVIPCRK-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.54
TPSA
20.23
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.09
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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