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CAS 784-14-5 2,3,4,5,6-PENTAFLUOROBIPHENYL molecular structure lightbox
CAS RN: 784-14-5

2,3,4,5,6-PENTAFLUOROBIPHENYL

  • Product code: SSC-187807
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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 784-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

784-14-5 / 1,2,3,4,5-pentafluoro-6-phenylbenzene

Standard CAS: 784-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
784-14-5
Multi CAS
No
Molecular Formula
C12F5H5
Molecular Weight
244.160000
Exact Mass
244.031141
InChI
InChI=1S/C12H5F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H
InChIKey
BEKHDAJTCOSDPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
51.67
TPSA
0.0000

LogP / Solubility

WLOGP
4.05
MLOGP
3.57
XLogP3
4
Consensus LogP
3.87
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

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)
-1.33

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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