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CAS 7726-20-7 Di-n-octyl Sulfone molecular structure lightbox
CAS RN: 7726-20-7

Di-n-octyl Sulfone

  • Product code: SSC-186735
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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: 5g
  • Available purity: ≥98%
  • 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 7726-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

7726-20-7 / 1-octylsulfonyloctane

Standard CAS: 7726-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7726-20-7
Multi CAS
No
Molecular Formula
C16H34O2S
Molecular Weight
290.500000
Exact Mass
290.227952
InChI
InChI=1S/C16H34O2S/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
TZPCGEVFZZYCIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
85.41
TPSA
34.14

LogP / Solubility

WLOGP
5.12
MLOGP
4.52
XLogP3
6.4
Consensus LogP
5.35
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.48
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
No
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

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

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