CAS RN: 1052678-30-4
Propargyl-PEG3-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.20260526 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-007003
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: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
1052678-30-4 / 3-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]prop-1-yne
Propargyl-PEG3-phosphonic acid ethyl ester | Propargyl-PEG3-phosphonic acid diethyl ester | PROPARGYL-PEG3-PHOSPHONICACIDETHYLESTER
Basic Information
CAS
1052678-30-4
Multi CAS
No
Molecular Formula
C13H25O6P
Molecular Weight
308.310000
Exact Mass
308.138876
SMILES
CCOP(=O)(CCOCCOCCOCC#C)OCC
InChI
InChI=1S/C13H25O6P/c1-4-7-15-8-9-16-10-11-17-12-13-20(14,18-5-2)19-6-3/h1H,5-13H2,2-3H3
InChIKey
WNCMRBALVMVXLA-UHFFFAOYSA-N
Synonyms
Propargyl-PEG3-phosphonic acid ethyl ester
Propargyl-PEG3-phosphonic acid diethyl ester
PROPARGYL-PEG3-PHOSPHONICACIDETHYLESTER
3-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]prop-1-yne
diethyl (2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}ethyl)phosphonate
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.85
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
77.02
TPSA
63.22
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
-0.1
Consensus LogP
1.19
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.95
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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