CAS RN: 23424-28-4
ACETIC-1-13C ACID, SODIUM SALT
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS23424-28-4
- Purity/Analytical Methods: >99.0%
23424-28-4 / sodium acetate
Basic Information
CAS
23424-28-4
Multi CAS
No
Molecular Formula
C2H3NaO2
Molecular Weight
82.030000
Exact Mass
82.003074
SMILES
CC(=O)[O-].[Na+]
InChI
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey
VMHLLURERBWHNL-UHFFFAOYSA-M
Physical Properties
Melting Point
324 °C
328 °C
Density
1.528 g/ml
1.5 g/cm³
Physical Description
Dry Powder; Liquid; Pellets or Large Crystals
Anhydrous:White, odourless, granular, hygroscopic powder
White hygroscopic solid; [ICSC] Colorless odorless hygroscopic solid; [CHEMINFO] White odorless crystalline powder;
WHITE HYGROSCOPIC CRYSTALLINE POWDER.
Appearance
WHITE GRANULAR POWDER OR MONOCLINIC CRYSTALS
Colorless
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
10.68
TPSA
40.13
LogP / Solubility
WLOGP
-4.24
MLOGP
-3.75
XLogP3
-4.24
Consensus LogP
-4.08
Log S (ESOL)
2.32
Class (ESOL)
Highly soluble
Log S (Ali)
2.83
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.33
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)
-6.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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