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CAS 30668-97-4 2-Ethoxyethyl Trichloroacetate molecular structure lightbox
CAS RN: 30668-97-4

2-Ethoxyethyl Trichloroacetate

  • Product code: SSC-135487
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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: 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 30668-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

30668-97-4 / 2-ethoxyethyl 2,2,2-trichloroacetate

Standard CAS: 30668-97-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30668-97-4
Multi CAS
No
Molecular Formula
C6H9CL3O3
Molecular Weight
235.500000
Exact Mass
233.961727
InChI
InChI=1S/C6H9Cl3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3
InChIKey
LEGOWVFXOHMHKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
47.74
TPSA
35.53

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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