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CAS 91393-54-3 Ethyl 2-(4-chlorophenyl)cyclopropanecarboxylate molecular structure lightbox
CAS RN: 91393-54-3

Ethyl 2-(4-chlorophenyl)cyclopropanecarboxylate

  • Product code: SSC-204432
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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 91393-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

91393-54-3 / ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate

Standard CAS: 91393-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91393-54-3
Multi CAS
No
Molecular Formula
C12H13CLO2
Molecular Weight
224.680000
Exact Mass
224.060407
InChI
InChI=1S/C12H13ClO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3
InChIKey
MBJPATUIODMIKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
58.93
TPSA
26.3

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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