CAS RN: 4762-26-9
Hexyltriphenylphosphonium Bromide
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-154578
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
4762-26-9 / hexyl(triphenyl)phosphanium bromide
Basic Information
CAS
4762-26-9
Multi CAS
Yes
Molecular Formula
C24H28BRP
Molecular Weight
427.400000
Exact Mass
426.111200
InChI
InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
InChIKey
PWDFZWZPWFYFTC-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
114.16
TPSA
0.0000
LogP / Solubility
WLOGP
2.56
MLOGP
2.28
XLogP3
2.56
Consensus LogP
2.47
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51
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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![CAS 50479-11-3 [3-(Ethoxycarbonyl)propyl]triphenylphosphonium Bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1450-jpgcontextbwfzdgvyfhjvb3r8mtgzmjr8aw1hz2uvanblz3xontcvadq2lzkxotyzndg5otc2njivrte0ntauanbnfgeyyte4nze1mjlmzmq2nwe1ytzmmgi2zgy2ytyynwmyndbiodvmztu1odq5nwixzdvjodqxyjcymjczzjjinzy.jpeg)
