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CAS 622-25-3 BETA-CHLOROSTYRENE molecular structure lightbox
CAS RN: 622-25-3

BETA-CHLOROSTYRENE

  • Product code: SSC-171262
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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 622-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

622-25-3 / 2-chloroethenylbenzene

Standard CAS: 622-25-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
622-25-3
Multi CAS
Yes
Molecular Formula
C8H7CL
Molecular Weight
138.590000
Exact Mass
138.023628
InChI
InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
SBYMUDUGTIKLCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
41.33
TPSA
0.0000

LogP / Solubility

WLOGP
2.9
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

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