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CAS 581-80-6 4-(TRIFLUOROMETHYL)-BIPHENYL molecular structure lightbox
CAS RN: 581-80-6

4-(TRIFLUOROMETHYL)-BIPHENYL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260317 100mg In stock Inquiry
Batchno.20260201 1g In stock Inquiry
Batchno.20260329 250mg In stock Inquiry
  • Product code: SSC-166314
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 581-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

581-80-6 / 1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzene

Standard CAS: 581-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
581-80-6
Multi CAS
No
Molecular Formula
C14F6H8
Molecular Weight
290.200000
Exact Mass
290.053019
InChI
InChI=1S/C14H8F6/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18,19)20/h1-8H
InChIKey
ITBRQMPOQQZNFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
61.88
TPSA
0.0000

LogP / Solubility

WLOGP
5.39
MLOGP
4.76
XLogP3
5.5
Consensus LogP
5.22
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

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)
-0.66

Drug-likeness / Medicinal Chemistry

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

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