CAS RN: 1986-89-6
Di-n-octyl Sulfoxide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251123 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTD2965
- Purity/Analytical Methods: >98.0%(HPLC)
1986-89-6 / 1-octylsulfinyloctane
Basic Information
CAS
1986-89-6
Multi CAS
No
Molecular Formula
C16H34OS
Molecular Weight
274.500000
Exact Mass
274.233037
SMILES
CCCCCCCCS(=O)CCCCCCCC
InChI
InChI=1S/C16H34OS/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
VWCFQNQVNVMFGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
84.63
TPSA
17.07
LogP / Solubility
WLOGP
5.46
MLOGP
4.81
XLogP3
6.1
Consensus LogP
5.46
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.65
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)
-0.52
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
