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CAS 223557-24-2 2-Bromofuran-3-carboxaldehyde molecular structure lightbox
CAS RN: 223557-24-2

2-Bromofuran-3-carboxaldehyde

  • Product code: SSC-109016
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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: 0.1g, 0.25g, 1g
  • 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 223557-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

223557-24-2 / 2-bromofuran-3-carbaldehyde

Standard CAS: 223557-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223557-24-2
Multi CAS
No
Molecular Formula
C5H3BrO2
Molecular Weight
174.980000
Exact Mass
173.931640
SMILES
C1=COC(=C1C=O)Br
InChI
InChI=1S/C5H3BrO2/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKey
XITDMCVJWXMMCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.8
TPSA
30.21

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.47

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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