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CAS 4091-26-3 BETA-STYRENE SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 4091-26-3

BETA-STYRENE SULFONYL CHLORIDE

  • Product code: SSC-149289
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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 4091-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

4091-26-3 / 2-phenylethenesulfonyl chloride

Standard CAS: 4091-26-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4091-26-3
Multi CAS
Yes
Molecular Formula
C8H7CLO2S
Molecular Weight
202.660000
Exact Mass
201.985528
InChI
InChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
ONWRSBMOCIQLRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.25
TPSA
34.14

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.4
Consensus LogP
2.2
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.38

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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