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CAS 335-48-8 1,4-Dibromooctafluorobutane molecular structure lightbox
CAS RN: 335-48-8

1,4-Dibromooctafluorobutane

  • Product code: SSC-139599
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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: ≥98%
  • 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 335-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

335-48-8 / 1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane

Standard CAS: 335-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
335-48-8
Multi CAS
No
Molecular Formula
C4BR2F8
Molecular Weight
359.840000
Exact Mass
359.821850
InChI
InChI=1S/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
InChIKey
RWWUGYJWSVESJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
37.64
TPSA
0.0000

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
4.6
Consensus LogP
4.19
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.91

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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