CAS RN: 160625-24-1
PEG3-bis-(ethyl phosphonate)
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.20250208 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS160625-24-1
- Purity/Analytical Methods: >99.0%
160625-24-1 / 1-(2-diethoxyphosphorylethoxy)-2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethane
Basic Information
CAS
160625-24-1
Multi CAS
No
Molecular Formula
C16H36O9P2
Molecular Weight
434.400000
Exact Mass
434.183457
SMILES
CCOP(=O)(CCOCCOCCOCCP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C16H36O9P2/c1-5-22-26(17,23-6-2)15-13-20-11-9-19-10-12-21-14-16-27(18,24-7-3)25-8-4/h5-16H2,1-4H3
InChIKey
ZWTMAYYRMOPOCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
9
Molar refractivity
103.91
TPSA
98.75
LogP / Solubility
WLOGP
3.57
MLOGP
3.17
XLogP3
-0.3
Consensus LogP
2.15
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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