CAS RN: 20612-73-1
TRI-n-OCTYLPHOSPHINE SELENIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250627 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS20612-73-1
- Purity/Analytical Methods: >99.0%
20612-73-1 / trioctyl(selanylidene)-lambda5-phosphane
Basic Information
CAS
20612-73-1
Multi CAS
No
Molecular Formula
C24H51PSe
Molecular Weight
449.600000
Exact Mass
450.289360
SMILES
CCCCCCCCP(=[Se])(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C24H51PSe/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
ZAKSIRCIOXDVPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
21
Molar refractivity
127.4
TPSA
0.0000
LogP / Solubility
WLOGP
9.17
MLOGP
8.1
XLogP3
9.17
Consensus LogP
8.81
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-9.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.71
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)
1.05
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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