CAS RN: 2028281-88-9
m-PEG6-(CH2)8-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.20250828 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2028281-88-9
- Purity/Analytical Methods: >99.0%
2028281-88-9 / 1-diethoxyphosphoryl-8-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
Basic Information
CAS
2028281-88-9
Multi CAS
No
Molecular Formula
C23H49O9P
Molecular Weight
500.600000
Exact Mass
500.311420
SMILES
CCOP(=O)(CCCCCCCCOCCOCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C23H49O9P/c1-4-31-33(24,32-5-2)23-11-9-7-6-8-10-12-26-15-16-28-19-20-30-22-21-29-18-17-27-14-13-25-3/h4-23H2,1-3H3
InChIKey
ANRJOLZTIWLHKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
9
Molar refractivity
129.4
TPSA
90.91
LogP / Solubility
WLOGP
4.32
MLOGP
3.84
XLogP3
1.8
Consensus LogP
3.32
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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