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CAS 422-85-5 Heptafluoropropyl Bromide molecular structure lightbox
CAS RN: 422-85-5

Heptafluoropropyl Bromide

  • Product code: SSC-150532
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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 422-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

422-85-5 / 1-bromo-1,1,2,2,3,3,3-heptafluoropropane

Standard CAS: 422-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
422-85-5
Multi CAS
Yes
Molecular Formula
BC3Rf7
Molecular Weight
248.920000
Exact Mass
247.907160
InChI
InChI=1S/C3BrF7/c4-2(7,8)1(5,6)3(9,10)11
InChIKey
LANNRYWUUQMNPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
24.88
TPSA
0.0000

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.5
Consensus LogP
3.16
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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