CAS RN: 855945-03-8
2-(4-Acetamidophenoxy)-N,N,N-trimethylethanaminium bromide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250626 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-194051
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: 1g
- Available purity: ＞95%
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
855945-03-8 / 2-(4-acetamidophenoxy)ethyl-trimethylazanium bromide
Basic Information
CAS
855945-03-8
Multi CAS
Yes
Molecular Formula
BC13H21O2Rn2
Molecular Weight
317.220000
Exact Mass
316.078640
InChI
InChI=1S/C13H20N2O2.BrH/c1-11(16)14-12-5-7-13(8-6-12)17-10-9-15(2,3)4;/h5-8H,9-10H2,1-4H3;1H
InChIKey
ILIOGBREUGCWHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.14
TPSA
38.33
LogP / Solubility
WLOGP
-1.27
MLOGP
-1.1
XLogP3
-1.27
Consensus LogP
-1.21
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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