CAS RN: 96962-41-3
m-PEG2-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.20250222 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS96962-41-3
- Purity/Analytical Methods: >99.0%
96962-41-3 / 2-(2-methoxyethoxy)ethylphosphonic acid
Basic Information
CAS
96962-41-3
Multi CAS
No
Molecular Formula
C5H13O5P
Molecular Weight
184.130000
Exact Mass
184.050061
InChI
InChI=1S/C5H13O5P/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKey
PCGVEHCDYPVDET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.61
TPSA
75.99
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-1.9
Consensus LogP
-0.74
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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