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CAS 623-58-5 ACETYLACETICACID,SODIUMSALT molecular structure lightbox
CAS RN: 623-58-5

ACETYLACETICACID,SODIUMSALT

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 5mg / 10mg / 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Hebei, Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 5mg / 10mg / 25mg / 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing, Shandong, Guangdong Inquiry
  • Product code: SSC-171417
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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: 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 623-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

623-58-5 / sodium 3-oxobutanoate

Standard CAS: 623-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
623-58-5
Multi CAS
Yes
Molecular Formula
C4H5NAO3
Molecular Weight
124.070000
Exact Mass
124.013638
InChI
InChI=1S/C4H6O3.Na/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
UAKCMIIOSJFOTD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
20.3
TPSA
57.2

LogP / Solubility

WLOGP
-4.28
MLOGP
-3.78
XLogP3
-4.28
Consensus LogP
-4.11
Log S (ESOL)
2.22
Class (ESOL)
Highly soluble
Log S (Ali)
2.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.85
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.52

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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