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CAS 840521-88-2 3-(4-FLUOROPHENYL)PHENETHYL ALCOHOL molecular structure lightbox
CAS RN: 840521-88-2

3-(4-FLUOROPHENYL)PHENETHYL ALCOHOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS840521-88-2
  • Purity/Analytical Methods: >99.0%
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840521-88-2 / 2-[3-(4-fluorophenyl)phenyl]ethanol

Standard CAS: 840521-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
840521-88-2
Multi CAS
No
Molecular Formula
C14FH13O
Molecular Weight
216.250000
Exact Mass
216.095043
InChI
InChI=1S/C14H13FO/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,10,16H,8-9H2
InChIKey
HLVFZMCPTFRGQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.63
TPSA
20.23

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.2
Consensus LogP
2.97
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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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