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CAS 40876-98-0 Diethyl Oxalacetate Sodium Salt molecular structure lightbox
CAS RN: 40876-98-0

Diethyl Oxalacetate Sodium Salt

Product Availability

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100g Out of stock Inquiry
Batchno.20250215 1kg Out of stock Inquiry
Batchno.20260313 25g In stock Inquiry
Batchno.20260504 500g Out of stock Inquiry
Batchno.20260223 5g In stock Inquiry
  • Product code: SSC-149261
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 100g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 40876-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Beijing Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

40876-98-0 / sodium (Z)-1,4-diethoxy-1,4-dioxobut-2-en-2-olate

Standard CAS: 40876-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40876-98-0
Multi CAS
Yes
Molecular Formula
C8H11NAO5
Molecular Weight
210.160000
Exact Mass
210.050418
InChI
InChI=1S/C8H12O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h5,9H,3-4H2,1-2H3;/q;+1/p-1/b6-5-;
InChIKey
UJZUICGIJODKOS-YSMBQZINSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
41.35
TPSA
75.66

LogP / Solubility

WLOGP
-3.64
MLOGP
-3.2
XLogP3
-3.64
Consensus LogP
-3.49
Log S (ESOL)
1.41
Class (ESOL)
Highly soluble
Log S (Ali)
1.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.51
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)
-6.59

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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