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CAS 2373-23-1 DIOCTYLSULPHOSUCCINATE molecular structure lightbox
CAS RN: 2373-23-1

DIOCTYLSULPHOSUCCINATE

  • Product code: SSC-115312
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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 2373-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2373-23-1 / 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid

Standard CAS: 2373-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2373-23-1
Multi CAS
No
Molecular Formula
C20H38O7S
Molecular Weight
422.600000
Exact Mass
422.233825
SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)
InChIKey
OXLXSOPFNVKUMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
1
Molar refractivity
108.62
TPSA
106.97

LogP / Solubility

WLOGP
4.44
MLOGP
3.93
XLogP3
5.7
Consensus LogP
4.69
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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