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CAS 2206-87-3 4-Chlorobutyl Acrylate molecular structure lightbox
CAS RN: 2206-87-3

4-Chlorobutyl Acrylate

  • Product code: SSC-106131
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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: 5g
  • 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 2206-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2206-87-3 / 4-chlorobutyl prop-2-enoate

Standard CAS: 2206-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2206-87-3
Multi CAS
No
Molecular Formula
C7H11ClO2
Molecular Weight
162.610000
Exact Mass
162.044757
SMILES
C=CC(=O)OCCCCCl
InChI
InChI=1S/C7H11ClO2/c1-2-7(9)10-6-4-3-5-8/h2H,1,3-6H2
InChIKey
MSZCRKZKNKSJNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
41.11
TPSA
26.3

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2.4
Consensus LogP
1.88
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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