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CAS 326894-55-7 PGU 2F (liquid crystal) molecular structure lightbox
CAS RN: 326894-55-7

PGU 2F (liquid crystal)

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250403 200mg / 1g / 5g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS326894-55-7
  • Purity/Analytical Methods: >99.0%
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326894-55-7 / 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene

Standard CAS: 326894-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326894-55-7
Multi CAS
No
Molecular Formula
C20F4H14
Molecular Weight
330.300000
Exact Mass
330.103163
InChI
InChI=1S/C20H14F4/c1-2-12-3-5-13(6-4-12)14-7-8-16(17(21)9-14)15-10-18(22)20(24)19(23)11-15/h3-11H,2H2,1H3
InChIKey
BYZUWIASASXWRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.52
TPSA
0.0000

LogP / Solubility

WLOGP
6.14
MLOGP
5.42
XLogP3
6.4
Consensus LogP
5.99
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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