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CAS 99584-95-9 1,2-Dibromo-3,3-dimethyl-1-butene molecular structure lightbox
CAS RN: 99584-95-9

1,2-Dibromo-3,3-dimethyl-1-butene

  • Product code: SSC-213248
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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: 25g
  • 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 99584-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

99584-95-9 / (E)-1,2-dibromo-3,3-dimethylbut-1-ene

Standard CAS: 99584-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99584-95-9
Multi CAS
Yes
Molecular Formula
C6H10BR2
Molecular Weight
241.950000
Exact Mass
241.912880
InChI
InChI=1S/C6H10Br2/c1-6(2,3)5(8)4-7/h4H,1-3H3/b5-4+
InChIKey
JDGBPINHTJNHMH-SNAWJCMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
Molar refractivity
45.39
TPSA
0.0000

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.59

Drug-likeness / Medicinal Chemistry

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

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