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CAS 349665-92-5 4-(4-Fluorophenyl)-3-fluorophenol molecular structure lightbox
CAS RN: 349665-92-5

4-(4-Fluorophenyl)-3-fluorophenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS349665-92-5
  • Purity/Analytical Methods: >99.0%
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349665-92-5 / 3-fluoro-4-(4-fluorophenyl)phenol

Standard CAS: 349665-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
349665-92-5
Multi CAS
No
Molecular Formula
C12F2H8O
Molecular Weight
206.190000
Exact Mass
206.054321
InChI
InChI=1S/C12H8F2O/c13-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)14/h1-7,15H
InChIKey
NRBIGGXSQDASKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.46
TPSA
20.23

LogP / Solubility

WLOGP
3.34
MLOGP
2.94
XLogP3
3.4
Consensus LogP
3.23
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.61

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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