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CAS 20279-43-0 PROPYL PYRUVATE molecular structure lightbox
CAS RN: 20279-43-0

PROPYL PYRUVATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251002 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS20279-43-0
  • Purity/Analytical Methods: >99.0%
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20279-43-0 / propyl 2-oxopropanoate

Standard CAS: 20279-43-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20279-43-0
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CCCOC(=O)C(=O)C
InChI
InChI=1S/C6H10O3/c1-3-4-9-6(8)5(2)7/h3-4H2,1-2H3
InChIKey
ILPVOWZUBFRIAX-UHFFFAOYSA-N

Physical Properties

Density
1.012-1.020 (20°)
Physical Description
Colourless to pale yellow liquid; Sweet carmelling, floral aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.93
TPSA
43.37

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.9
Consensus LogP
0.63
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.14

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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