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CAS 6725-45-7 ETHYL 3,4-DICHLOROPHENYLACETATE molecular structure lightbox
CAS RN: 6725-45-7

ETHYL 3,4-DICHLOROPHENYLACETATE

  • Product code: SSC-176938
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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: 100g
  • 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 6725-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

6725-45-7 / (3,4-dichlorophenyl) butanoate

Standard CAS: 6725-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6725-45-7
Multi CAS
Yes
Molecular Formula
C10H10CL2O2
Molecular Weight
233.090000
Exact Mass
232.005785
InChI
InChI=1S/C10H10Cl2O2/c1-2-3-10(13)14-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3
InChIKey
GVUWGECOKPZWDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
57.01
TPSA
26.3

LogP / Solubility

WLOGP
3.7
MLOGP
3.26
XLogP3
3.8
Consensus LogP
3.59
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.52

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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