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CAS 22202-68-2 ALPHA-KETOGLUTARIC ACID MONOSODIUM SALT molecular structure lightbox
CAS RN: 22202-68-2

ALPHA-KETOGLUTARIC ACID MONOSODIUM SALT

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 1g / 5g / 25g / 100g / 1kg Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS22202-68-2
  • Purity/Analytical Methods: >99.0%
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22202-68-2 / disodium;2-oxopentanedioate

Standard CAS: 22202-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22202-68-2
Multi CAS
No
Molecular Formula
C5H4Na2O5
Molecular Weight
190.060000
Exact Mass
189.985412
SMILES
C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKey
MOTOGHHLNTXPTI-UHFFFAOYSA-M

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)
5.01
Class (ESOL)
Highly soluble
Log S (Ali)
5.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.22
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)
-10.38

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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