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CAS 2168-96-9 Didodecyl Sulfoxide molecular structure lightbox
CAS RN: 2168-96-9

Didodecyl Sulfoxide

  • Product code: SSC-104163
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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 2168-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

2168-96-9 / 1-dodecylsulfinyldodecane

Standard CAS: 2168-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2168-96-9
Multi CAS
No
Molecular Formula
C24H50OS
Molecular Weight
386.700000
Exact Mass
386.358237
SMILES
CCCCCCCCCCCCS(=O)CCCCCCCCCCCC
InChI
InChI=1S/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
PZKDFFVFMXTDIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
1
Molar refractivity
121.56
TPSA
17.07

LogP / Solubility

WLOGP
8.58
MLOGP
7.57
XLogP3
10.4
Consensus LogP
8.85
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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