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CAS 39255-32-8 Ethyl 2-Methylvalerate molecular structure lightbox
CAS RN: 39255-32-8

Ethyl 2-Methylvalerate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTE0801
  • Purity/Analytical Methods: >98.0%(GC)
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39255-32-8 / ethyl 2-methylpentanoate

Standard CAS: 39255-32-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
39255-32-8
Multi CAS
Yes
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
InChI
InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey
HZPKNSYIDSNZKW-UHFFFAOYSA-N

Physical Properties

Density
0.859-0.865
Physical Description
Liquid; Dry Powder, Liquid colourless to pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.71
TPSA
26.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
2.4
Consensus LogP
2.04
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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