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CAS 51731-17-0 4-METHOXY-3-BUTEN-2-ONE molecular structure lightbox
CAS RN: 51731-17-0

4-METHOXY-3-BUTEN-2-ONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-158676
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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, 10g, 25g, 100g
  • Available purity: Tech. 90%
  • 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 51731-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g Tech. 90% 0 Out of Stock Shenzhen Inquiry
10g Tech. 90% 0 Out of Stock Shenzhen Inquiry
25g Tech. 90% 0 Out of Stock Shenzhen Inquiry
100g Tech. 90% 0 Out of Stock Shanghai Inquiry

51731-17-0 / 4-methoxybut-3-en-2-one

Standard CAS: 51731-17-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51731-17-0
Multi CAS
Yes
Molecular Formula
C5H8O2
Molecular Weight
100.120000
Exact Mass
100.052429
InChI
InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3
InChIKey
VLLHEPHWWIDUSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
26.83
TPSA
26.3

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.2
Consensus LogP
0.53
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-2.81

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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