CAS RN: 173025-79-1
4-(4-TrifluoroMethoxyphenyl)phenol
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.20250601 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS173025-79-1
- Purity/Analytical Methods: >99.0%
173025-79-1 / 4-[4-(trifluoromethoxy)phenyl]phenol
Basic Information
CAS
173025-79-1
Multi CAS
No
Molecular Formula
C13H9F3O2
Molecular Weight
254.200000
Exact Mass
254.055464
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OC(F)(F)F)O
InChI
InChI=1S/C13H9F3O2/c14-13(15,16)18-12-7-3-10(4-8-12)9-1-5-11(17)6-2-9/h1-8,17H
InChIKey
BQHPTVCTYWEKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.23
TPSA
29.46
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
4.4
Consensus LogP
3.95
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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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