CAS RN: 45116-57-2
Diethyl (acryloyloxymethyl)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.20260301 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS45116-57-2
- Purity/Analytical Methods: >99.0%
45116-57-2 / diethoxyphosphorylmethyl prop-2-enoate
Basic Information
CAS
45116-57-2
Multi CAS
No
Molecular Formula
C8H15O5P
Molecular Weight
222.180000
Exact Mass
222.065711
InChI
InChI=1S/C8H15O5P/c1-4-8(9)11-7-14(10,12-5-2)13-6-3/h4H,1,5-7H2,2-3H3
InChIKey
LQMKEYDFIKSGEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
52.01
TPSA
61.83
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
0.8
Consensus LogP
1.48
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
