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CAS 234443-22-2 5-BROMO-4,4,5,5-TETRAFLUOROPENTANOIC ACID molecular structure lightbox
CAS RN: 234443-22-2

5-BROMO-4,4,5,5-TETRAFLUOROPENTANOIC ACID

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260210 1g In stock Shanghai Inquiry
Batchno.20250904 250mg In stock Shanghai Inquiry
Batchno.20250107 5g In stock Shanghai Inquiry
  • Product code: SSC-113242
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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: ≥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 234443-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

234443-22-2 / 5-bromo-4,4,5,5-tetrafluoropentanoic acid

Standard CAS: 234443-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234443-22-2
Multi CAS
No
Molecular Formula
C5H5BrF4O2
Molecular Weight
252.990000
Exact Mass
251.940900
SMILES
C(CC(C(F)(F)Br)(F)F)C(=O)O
InChI
InChI=1S/C5H5BrF4O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
InChIKey
OIIFPRVLJLLMOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.69
TPSA
37.3

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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