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CAS 26448-91-9 ETHYL 4-ETHOXYBUTYRATE molecular structure lightbox
CAS RN: 26448-91-9

ETHYL 4-ETHOXYBUTYRATE

  • Product code: SSC-124197
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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: 1g
  • Available purity: ≥97%
  • 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 26448-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

26448-91-9 / ethyl 4-ethoxybutanoate

Standard CAS: 26448-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26448-91-9
Multi CAS
No
Molecular Formula
C8H16O3
Molecular Weight
160.210000
Exact Mass
160.109944
SMILES
CCOCCCC(=O)OCC
InChI
InChI=1S/C8H16O3/c1-3-10-7-5-6-8(9)11-4-2/h3-7H2,1-2H3
InChIKey
NQYKGEPHDRUFJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
42.36
TPSA
35.53

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.56
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)
-2.73

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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