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CAS 420-90-6 3-Bromo-3,3-difluoropropene molecular structure lightbox
CAS RN: 420-90-6

3-Bromo-3,3-difluoropropene

  • Product code: SSC-150322
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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, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 420-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 4 In Stock Beijing Inquiry

420-90-6 / 3-bromo-3,3-difluoroprop-1-ene

Standard CAS: 420-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
420-90-6
Multi CAS
Yes
Molecular Formula
BC3H3Rf2
Molecular Weight
156.960000
Exact Mass
155.938620
InChI
InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
InChIKey
GDDNTTHUKVNJRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
24.07
TPSA
0.0000

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.14

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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