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CAS 36219-40-6 1-broMo-2-Methylbut-3-en-2-ol molecular structure lightbox
CAS RN: 36219-40-6

1-broMo-2-Methylbut-3-en-2-ol

  • Product code: SSC-143379
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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 36219-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

36219-40-6 / 1-bromo-2-methylbut-3-en-2-ol

Standard CAS: 36219-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36219-40-6
Multi CAS
No
Molecular Formula
C5H9BRO
Molecular Weight
165.030000
Exact Mass
163.983680
InChI
InChI=1S/C5H9BrO/c1-3-5(2,7)4-6/h3,7H,1,4H2,2H3
InChIKey
SWDKFXGQEDWIFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.61
TPSA
20.23

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.2
Consensus LogP
1.23
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.79

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
2

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