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: 1g, 0.25g, 5g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
51673-64-4 / methyl 2-methyl-3-oxopropanoate
Basic Information
CAS
51673-64-4
Multi CAS
Yes
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
InChI
InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h3-4H,1-2H3
InChIKey
HWYJZXYVLPKDLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
27.24
TPSA
43.37
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.3
Consensus LogP
0.09
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very 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)
-3.43
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
2
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- CAS RN: 51677-09-9
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2,2,4-TRIMETHYLPENTANE-D18
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- Product Code: starshine_CAS51685-57-5
- Purity/Analytical method: >99.0%
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