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CAS 533-23-3 Ethyl 2,4-dichlorophenoxyacetate molecular structure lightbox
CAS RN: 533-23-3

Ethyl 2,4-dichlorophenoxyacetate

  • Product code: SSC-160547
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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 533-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

533-23-3 / ethyl 2-(2,4-dichlorophenoxy)acetate

Standard CAS: 533-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
533-23-3
Multi CAS
Yes
Molecular Formula
C10H10CL2O3
Molecular Weight
249.090000
Exact Mass
248.000700
InChI
InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
InChIKey
JSLBZIVMVVHMDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
58.59
TPSA
35.53

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.5
Consensus LogP
3.01
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-2.16

Drug-likeness / Medicinal Chemistry

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

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