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CAS 32487-58-4 3-Methoxy-2-furfuraldehyde molecular structure lightbox
CAS RN: 32487-58-4

3-Methoxy-2-furfuraldehyde

  • Product code: SSC-138080
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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: 0.25g
  • 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 32487-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

32487-58-4 / 3-methoxyfuran-2-carbaldehyde

Standard CAS: 32487-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32487-58-4
Multi CAS
No
Molecular Formula
C6H6O3
Molecular Weight
126.110000
Exact Mass
126.031694
InChI
InChI=1S/C6H6O3/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKey
NEFRUHCNVKRDIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
30.65
TPSA
39.44

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.71

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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