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CAS 3952-67-8 2-Oxo-3-methylbutyric acid methyl ester molecular structure lightbox
CAS RN: 3952-67-8

2-Oxo-3-methylbutyric acid methyl ester

  • Product code: SSC-147206
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3952-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

3952-67-8 / methyl 3-methyl-2-oxobutanoate

Standard CAS: 3952-67-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3952-67-8
Multi CAS
Yes
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
InChI
InChI=1S/C6H10O3/c1-4(2)5(7)6(8)9-3/h4H,1-3H3
InChIKey
NKWVBPZZQFOVCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
31.86
TPSA
43.37

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
1
Consensus LogP
0.57
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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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