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CAS 13095-67-5 DipotassiumMalonate molecular structure lightbox
CAS RN: 13095-67-5

DipotassiumMalonate

  • Product code: SSC-037496
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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: 100g
  • 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 13095-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

13095-67-5 / dipotassium;propanedioate

Standard CAS: 13095-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13095-67-5
Multi CAS
No
Molecular Formula
C3H2K2O4
Molecular Weight
180.240000
Exact Mass
179.922722
SMILES
C(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChI
InChI=1S/C3H4O4.2K/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKey
HCDITHVDEPPNIL-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
14.63
TPSA
80.26

LogP / Solubility

WLOGP
-9.12
MLOGP
-8.02
XLogP3
-9.12
Consensus LogP
-8.75
Log S (ESOL)
4.92
Class (ESOL)
Highly soluble
Log S (Ali)
5.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.49
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)
-10.29

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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