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CAS 676-47-1 DIPOTASSIUM SUCCINATE TRIHYDRATE molecular structure lightbox
CAS RN: 676-47-1

DIPOTASSIUM SUCCINATE TRIHYDRATE

  • Product code: SSC-177293
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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: 25g
  • Available purity: ＞97%
  • 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 676-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

676-47-1 / dipotassium;butanedioate;trihydrate

Standard CAS: 676-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676-47-1
Multi CAS
Yes
Molecular Formula
C4H10K2O7
Molecular Weight
248.310000
Exact Mass
247.970066
InChI
InChI=1S/C4H6O4.2K.3H2O/c5-3(6)1-2-4(7)8;;;;;/h1-2H2,(H,5,6)(H,7,8);;;3*1H2/q;2*+1;;;/p-2
InChIKey
PFTLHQXTAGELAZ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
30.09
TPSA
174.76

LogP / Solubility

WLOGP
-11.2
MLOGP
-9.85
XLogP3
-11.2
Consensus LogP
-10.75
Log S (ESOL)
5.87
Class (ESOL)
Highly soluble
Log S (Ali)
6.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.66
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)
-12.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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