CAS RN: 89996-00-9
Phosphonium, (2-aminoethyl)triphenyl-, bromide
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: SSC-202259
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 5g, 0.25g, 25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Beijing | Inquiry |
89996-00-9 / 2-aminoethyl(triphenyl)phosphanium bromide
Basic Information
CAS
89996-00-9
Multi CAS
No
Molecular Formula
BC20H21PRn
Molecular Weight
386.300000
Exact Mass
385.059500
InChI
InChI=1S/C20H21NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,21H2;1H/q+1;/p-1
InChIKey
IEDLFWPVJJOQLZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.07
TPSA
26.02
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.03
XLogP3
-0.06
Consensus LogP
-0.05
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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