CAS RN: 1227060-32-3
ETHYL 2-ACETAMIDO-2-(DIMETHOXYPHOSPHORYL)ACETATE
- Product code: SSC-025843
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1227060-32-3 / ethyl 2-acetamido-2-dimethoxyphosphorylacetate
Basic Information
CAS
1227060-32-3
Multi CAS
No
Molecular Formula
C8H16NO6P
Molecular Weight
253.190000
Exact Mass
253.071524
SMILES
CCOC(=O)C(NC(=O)C)P(=O)(OC)OC
InChI
InChI=1S/C8H16NO6P/c1-5-15-8(11)7(9-6(2)10)16(12,13-3)14-4/h7H,5H2,1-4H3,(H,9,10)
InChIKey
VVUQLBMPSNBFPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
55.86
TPSA
90.93
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
-0.8
Consensus LogP
0.05
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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