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CAS 3105-55-3 Monosodium Maleate Trihydrate molecular structure lightbox
CAS RN: 3105-55-3

Monosodium Maleate Trihydrate

  • Product code: SSC-136286
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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: ＞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 3105-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

3105-55-3 / sodium 4-hydroxy-4-oxobut-2-enoate

Standard CAS: 3105-55-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3105-55-3
Multi CAS
Yes
Molecular Formula
C4H3NAO4
Molecular Weight
138.050000
Exact Mass
137.992903
InChI
InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKey
VRVKOZSIJXBAJG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
21.78
TPSA
77.43

LogP / Solubility

WLOGP
-4.62
MLOGP
-4.07
XLogP3
-4.62
Consensus LogP
-4.44
Log S (ESOL)
2.35
Class (ESOL)
Highly soluble
Log S (Ali)
2.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.04
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)
-6.84

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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