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CAS 29680-44-2 1,1′-Biphenyl, 4-bromo-2,3,5,6-tetrafluoro- molecular structure lightbox
CAS RN: 29680-44-2

1,1′-Biphenyl, 4-bromo-2,3,5,6-tetrafluoro-

  • Product code: SSC-132752
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29680-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

29680-44-2 / 1-bromo-2,3,5,6-tetrafluoro-4-phenylbenzene

Standard CAS: 29680-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29680-44-2
Multi CAS
No
Molecular Formula
BC12H5Rf4
Molecular Weight
305.060000
Exact Mass
303.951080
InChI
InChI=1S/C12H5BrF4/c13-8-11(16)9(14)7(10(15)12(8)17)6-4-2-1-3-5-6/h1-5H
InChIKey
OLNXLOVPALDQNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
59.41
TPSA
0.0000

LogP / Solubility

WLOGP
4.67
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.26

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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