CAS RN: 1686102-84-0
(4-(4-(2,2,2-trifluoroethyl)phenoxy)phenyl)methanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1686102-84-0
- Purity/Analytical Methods: >99.0%
1686102-84-0 / [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanol
Basic Information
CAS
1686102-84-0
Multi CAS
No
Molecular Formula
C14H11F3O3
Molecular Weight
284.230000
Exact Mass
284.066029
SMILES
C1=CC(=CC=C1CO)OC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C14H11F3O3/c15-14(16,17)20-13-7-5-12(6-8-13)19-11-3-1-10(9-18)2-4-11/h1-8,18H,9H2
InChIKey
YPVVIPKSYPCELD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.56
TPSA
38.69
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Cytidine, 2′,3′-O-(1-methylethylidene)-, 5′-(2-methylpropanoate)
- CAS RN: 1686124-74-2
- Product Code: SSC-073458
-
-
Trifluoro(pyrrolidin-1-ium-1-ylmethyl)borate
- CAS RN: 1686150-29-7
- Product Code: SSC-073462
-
-
methyl4-aminoisoquinoline-8-carboxylate
- CAS RN: 1687855-43-1
- Product Code: starshine_CAS1687855-43-1
- Purity/Analytical method: >99.0%
