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CAS 933786-79-9 (4-(4-(TrifluoroMethyl)phenoxy)phenyl)Methanol molecular structure lightbox
CAS RN: 933786-79-9

(4-(4-(TrifluoroMethyl)phenoxy)phenyl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS933786-79-9
  • Purity/Analytical Methods: >99.0%
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933786-79-9 / [4-[4-(trifluoromethyl)phenoxy]phenyl]methanol

Standard CAS: 933786-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933786-79-9
Multi CAS
No
Molecular Formula
C14F3H11O2
Molecular Weight
268.230000
Exact Mass
268.071114
InChI
InChI=1S/C14H11F3O2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8,18H,9H2
InChIKey
DFIYQZIHZLMLHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.88
TPSA
29.46

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.4
Consensus LogP
3.64
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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)
-1.52

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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