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CAS 39230-37-0 SODIUM ACETATE-D3 99+ ATOM % D molecular structure lightbox
CAS RN: 39230-37-0

SODIUM ACETATE-D3 99+ ATOM % D

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS39230-37-0
  • Purity/Analytical Methods: >99.0%
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39230-37-0 / sodium 2,2,2-trideuterioacetate

Standard CAS: 39230-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39230-37-0
Multi CAS
Yes
Molecular Formula
C2H3NAO2
Molecular Weight
85.050000
Exact Mass
85.021904
InChI
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i1D3;
InChIKey
VMHLLURERBWHNL-NIIDSAIPSA-M

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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