CAS RN: 1226767-94-7
Bromo-PEG2-phosphonic acid ethyl ester
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.20260310 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-025773
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: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1226767-94-7 / 1-(2-bromoethoxy)-2-(2-diethoxyphosphorylethoxy)ethane
Basic Information
CAS
1226767-94-7
Multi CAS
No
Molecular Formula
C10H22BrO5P
Molecular Weight
333.160000
Exact Mass
332.038820
SMILES
CCOP(=O)(CCOCCOCCBr)OCC
InChI
InChI=1S/C10H22BrO5P/c1-3-15-17(12,16-4-2)10-9-14-8-7-13-6-5-11/h3-10H2,1-2H3
InChIKey
BYTKSVRXAWIJCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
71.16
TPSA
53.99
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
0.7
Consensus LogP
1.92
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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