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CAS 10551-58-3 5-Acetoxymethylfurfural molecular structure lightbox
CAS RN: 10551-58-3

5-Acetoxymethylfurfural

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007230
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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: ≥97%
  • 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 10551-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

10551-58-3 / (5-formylfuran-2-yl)methyl acetate

5-Acetoxymethyl-2-furaldehyde | RefChem:536045 | (5-formylfuran-2-yl)methyl acetate

Standard CAS: 10551-58-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10551-58-3
Multi CAS
Yes
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
SMILES
CC(=O)OCC1=CC=C(O1)C=O
InChI
InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
InChIKey
QAVITTVTXPZTSE-UHFFFAOYSA-N
Synonyms
5-Acetoxymethyl-2-furaldehyde RefChem:536045 (5-formylfuran-2-yl)methyl acetate 5-Formylfurfuryl acetate 5-Acetoxymethylfurfural

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
39.57
TPSA
56.51

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.77
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)
-2.93

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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