CAS RN: 2028281-85-6
m-PEG4-(CH2)8-phosphonic acid
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.20250321 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2028281-85-6
- Purity/Analytical Methods: >99.0%
2028281-85-6 / 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
Basic Information
CAS
2028281-85-6
Multi CAS
No
Molecular Formula
C15H33O7P
Molecular Weight
356.390000
Exact Mass
356.196390
SMILES
COCCOCCOCCOCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C15H33O7P/c1-19-9-10-21-13-14-22-12-11-20-8-6-4-2-3-5-7-15-23(16,17)18/h2-15H2,1H3,(H2,16,17,18)
InChIKey
JNQSHEHZCLMYKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
2
Molar refractivity
88.95
TPSA
94.45
LogP / Solubility
WLOGP
2.2
MLOGP
1.96
XLogP3
0.3
Consensus LogP
1.49
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.33
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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