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CAS 3715-29-5 Sodium 3-methyl-2-oxobutanoate molecular structure lightbox
CAS RN: 3715-29-5

Sodium 3-methyl-2-oxobutanoate

  • Product code: SSC-144480
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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: 5g
  • 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 3715-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3715-29-5 / sodium 3-methyl-2-oxobutanoate

Standard CAS: 3715-29-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3715-29-5
Multi CAS
Yes
Molecular Formula
C5H7NAO3
Molecular Weight
138.100000
Exact Mass
138.029288
InChI
InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1
InChIKey
WIQBZDCJCRFGKA-UHFFFAOYSA-M

Physical Properties

Physical Description
White powder; slight fruity aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
24.85
TPSA
57.2

LogP / Solubility

WLOGP
-4.03
MLOGP
-3.56
XLogP3
-4.03
Consensus LogP
-3.87
Log S (ESOL)
1.98
Class (ESOL)
Highly soluble
Log S (Ali)
2.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.55
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)
-6.43

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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