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CAS 546-74-7 Sodium Ethyl Sulfate molecular structure lightbox
CAS RN: 546-74-7

Sodium Ethyl Sulfate

  • Product code: SSC-162327
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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 546-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

546-74-7 / sodium ethyl sulfate

Standard CAS: 546-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
546-74-7
Multi CAS
Yes
Molecular Formula
C2H5NAO4S
Molecular Weight
148.120000
Exact Mass
147.980624
InChI
InChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKey
RRLOOYQHUHGIRJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
21.32
TPSA
66.43

LogP / Solubility

WLOGP
-3.51
MLOGP
-3.1
XLogP3
-3.51
Consensus LogP
-3.37
Log S (ESOL)
1.59
Class (ESOL)
Highly soluble
Log S (Ali)
1.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.05
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)
-6.12

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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