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CAS 149068-56-4 4-(PERFLUOROHEXYL) BROMOBENZENE molecular structure lightbox
CAS RN: 149068-56-4

4-(PERFLUOROHEXYL) BROMOBENZENE

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 100mg In stock Shanghai Inquiry
Batchno.20250316 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250914 1g In stock Shanghai Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
Batchno.20260406 5g Out of stock Inquiry
  • Product code: SSC-059175
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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: 5g
  • Available purity: ≥95%
  • 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 149068-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

149068-56-4 / 1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene

Standard CAS: 149068-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149068-56-4
Multi CAS
No
Molecular Formula
C12H4BrF13
Molecular Weight
475.040000
Exact Mass
473.928880
SMILES
C1=CC(=CC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C12H4BrF13/c13-6-3-1-5(2-4-6)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h1-4H
InChIKey
GKOWYWPSKDBJAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
13
Molar refractivity
63.88
TPSA
0.0000

LogP / Solubility

WLOGP
6.64
MLOGP
5.88
XLogP3
6.9
Consensus LogP
6.47
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.9

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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