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CAS 76311-89-2 3-bromofuran-2(5H)-one molecular structure lightbox
CAS RN: 76311-89-2

3-bromofuran-2(5H)-one

  • Product code: SSC-185751
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 76311-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry

76311-89-2 / 4-bromo-2H-furan-5-one

Standard CAS: 76311-89-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76311-89-2
Multi CAS
Yes
Molecular Formula
C4H3BRO2
Molecular Weight
162.970000
Exact Mass
161.931640
InChI
InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChIKey
QSYHSDNIQZDYGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
27.97
TPSA
26.3

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
1.1
Consensus LogP
0.88
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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