CAS RN: 57702-65-5
Tributyl-n-octylphosphonium Bromide
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-165893
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: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
57702-65-5 / tributyl(octyl)phosphanium bromide
Basic Information
CAS
57702-65-5
Multi CAS
No
Molecular Formula
C20H44BRP
Molecular Weight
395.400000
Exact Mass
394.236400
InChI
InChI=1S/C20H44P.BrH/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
UJMLRSWRUXXZEW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
104.49
TPSA
0.0000
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.77
Consensus LogP
4.59
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.75
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
2.5
