CAS RN: 42843-94-7
2-(ETHOXYCARBONYL)ETHYLTRIPHENYLPHOSPHONIUM BROMIDE
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 100g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250707 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260417 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251029 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260315 | 25g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260430 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-151114
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: 1g, 5g, 10g, 25g, 100g
- Available purity: 97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | 97% | 5 In Stock | Shanghai | Inquiry |
| 5g | 97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | 97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | 97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | 97% | 0 Out of Stock | Beijing | Inquiry |
42843-94-7 / (3-ethoxy-3-oxopropyl)-triphenylphosphanium bromide
Basic Information
CAS
42843-94-7
Multi CAS
Yes
Molecular Formula
C23H24BRO2P
Molecular Weight
443.300000
Exact Mass
442.069730
InChI
InChI=1S/C23H24O2P.BrH/c1-2-25-23(24)18-19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1
InChIKey
ANKBQEBRESYXDT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
111.27
TPSA
26.3
LogP / Solubility
WLOGP
0.94
MLOGP
0.85
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-4.76
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
