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CAS 304675-74-9 4-STYRENESULFONIC ACID, SODIUM SALT HYDRATE molecular structure lightbox
CAS RN: 304675-74-9

4-STYRENESULFONIC ACID, SODIUM SALT HYDRATE

  • Product code: SSC-134924
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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 304675-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

304675-74-9 / sodium;4-ethenylbenzenesulfonate;hydrate

Standard CAS: 304675-74-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304675-74-9
Multi CAS
Yes
Molecular Formula
C8H9NAO4S
Molecular Weight
224.210000
Exact Mass
224.011924
InChI
InChI=1S/C8H8O3S.Na.H2O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey
AATHLPHPRXGBAI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.11
TPSA
88.7

LogP / Solubility

WLOGP
-2.59
MLOGP
-2.27
XLogP3
-2.59
Consensus LogP
-2.48
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.92

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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