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CAS 7426-03-1 2,2′-(Butane-1,4-diyldisulfonyl)diethanol molecular structure lightbox
CAS RN: 7426-03-1

2,2′-(Butane-1,4-diyldisulfonyl)diethanol

  • Product code: SSC-183712
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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: 0.25g
  • 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 7426-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

7426-03-1 / 2-[4-(2-hydroxyethylsulfonyl)butylsulfonyl]ethanol

Standard CAS: 7426-03-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7426-03-1
Multi CAS
No
Molecular Formula
C8H18O6S2
Molecular Weight
274.400000
Exact Mass
274.054481
InChI
InChI=1S/C8H18O6S2/c9-3-7-15(11,12)5-1-2-6-16(13,14)8-4-10/h9-10H,1-8H2
InChIKey
PTPKLKBKOPEXQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
60.71
TPSA
108.74

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.24
XLogP3
-1.7
Consensus LogP
-1.45
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-5.4

Drug-likeness / Medicinal Chemistry

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

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