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CAS 32493-32-6 Pentanoic acid, 2-ethyl-3-oxo-, methyl ester molecular structure lightbox
CAS RN: 32493-32-6

Pentanoic acid, 2-ethyl-3-oxo-, methyl ester

  • Product code: SSC-138083
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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: 100g
  • 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 32493-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

32493-32-6 / methyl 2-ethyl-3-oxopentanoate

Standard CAS: 32493-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32493-32-6
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-4-6(7(9)5-2)8(10)11-3/h6H,4-5H2,1-3H3
InChIKey
CKGAUXMQNDHABI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
41.1
TPSA
43.37

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.86

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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