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CAS 2093-20-1 2-(2-hydroxyethoxy)ethyl acetate molecular structure lightbox
CAS RN: 2093-20-1

2-(2-hydroxyethoxy)ethyl acetate

  • Product code: SSC-099113
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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: 0.25g
  • 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 2093-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2093-20-1 / 2-(2-hydroxyethoxy)ethyl acetate

Standard CAS: 2093-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093-20-1
Multi CAS
No
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
SMILES
CC(=O)OCCOCCO
InChI
InChI=1S/C6H12O4/c1-6(8)10-5-4-9-3-2-7/h7H,2-5H2,1H3
InChIKey
XXXFZKQPYACQLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.54
TPSA
55.76

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.7
Consensus LogP
-0.51
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.94

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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