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CAS 54567-92-9 Triethyl Orthodichloroacetate molecular structure lightbox
CAS RN: 54567-92-9

Triethyl Orthodichloroacetate

  • Product code: SSC-162284
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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: ＞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 54567-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

54567-92-9 / 2,2-dichloro-1,1,1-triethoxyethane

Standard CAS: 54567-92-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54567-92-9
Multi CAS
No
Molecular Formula
C8H16CL2O3
Molecular Weight
231.110000
Exact Mass
230.047650
InChI
InChI=1S/C8H16Cl2O3/c1-4-11-8(7(9)10,12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKey
ZKMPARWUDMKPMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
53.1
TPSA
27.69

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-2.32

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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