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CAS 76305-83-4 2,2′-(Propane-1,3-diyldisulfinyl)diethanol molecular structure lightbox
CAS RN: 76305-83-4

2,2′-(Propane-1,3-diyldisulfinyl)diethanol

  • Product code: SSC-185734
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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 76305-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

76305-83-4 / 2-[3-(2-hydroxyethylsulfinyl)propylsulfinyl]ethanol

Standard CAS: 76305-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76305-83-4
Multi CAS
No
Molecular Formula
C7H16O4S2
Molecular Weight
228.300000
Exact Mass
228.049001
InChI
InChI=1S/C7H16O4S2/c8-2-6-12(10)4-1-5-13(11)7-3-9/h8-9H,1-7H2
InChIKey
RTLNKGZGJSWXDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.54
TPSA
74.6

LogP / Solubility

WLOGP
-1.14
MLOGP
-1
XLogP3
-2.7
Consensus LogP
-1.61
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-4.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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