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CAS 335125-98-9 2,3′,4′,5′-Tetrafluorobiphenyl-4-ol molecular structure lightbox
CAS RN: 335125-98-9

2,3′,4′,5′-Tetrafluorobiphenyl-4-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS335125-98-9
  • Purity/Analytical Methods: >99.0%
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335125-98-9 / 3-fluoro-4-(3,4,5-trifluorophenyl)phenol

Standard CAS: 335125-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
335125-98-9
Multi CAS
No
Molecular Formula
C12F4H6O
Molecular Weight
242.170000
Exact Mass
242.035477
InChI
InChI=1S/C12H6F4O/c13-9-5-7(17)1-2-8(9)6-3-10(14)12(16)11(15)4-6/h1-5,17H
InChIKey
BMSYKBWEFGWDKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.37
TPSA
20.23

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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