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CAS 39649-91-7 POTASSIUM A-KETOGLUTARATE molecular structure lightbox
CAS RN: 39649-91-7

POTASSIUM A-KETOGLUTARATE

  • Product code: SSC-147358
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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 39649-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

39649-91-7 / dipotassium;2-oxopentanedioate

Standard CAS: 39649-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39649-91-7
Multi CAS
Yes
Molecular Formula
C5H4K2O5
Molecular Weight
222.280000
Exact Mass
221.933286
InChI
InChI=1S/C5H6O5.2K/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKey
VTYGSWGUBDXCRA-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
24.25
TPSA
97.33

LogP / Solubility

WLOGP
-9.16
MLOGP
-8.06
XLogP3
-9.16
Consensus LogP
-8.79
Log S (ESOL)
4.81
Class (ESOL)
Highly soluble
Log S (Ali)
5.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.02
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)
-10.58

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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