CAS RN: 10409-56-0
Phosphonic acid, P-(1-methyl-2-oxo-2-phenylethyl)-, diethyl 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.20250204 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS10409-56-0
- Purity/Analytical Methods: >99.0%
10409-56-0 / 2-diethoxyphosphoryl-1-phenylpropan-1-one
Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester | DTXSID00433490 | RefChem:370408
Basic Information
CAS
10409-56-0
Multi CAS
No
Molecular Formula
C13H19O4P
Molecular Weight
270.260000
Exact Mass
270.102096
SMILES
CCOP(=O)(C(C)C(=O)C1=CC=CC=C1)OCC
InChI
InChI=1S/C13H19O4P/c1-4-16-18(15,17-5-2)11(3)13(14)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKey
YVVBYGFBDSRAFA-UHFFFAOYSA-N
Synonyms
Phosphonic acid, (1-methyl-2-oxo-2-phenylethyl)-, diethyl ester
DTXSID00433490
RefChem:370408
DTXCID60384318
Diethyl (1-oxo-1-phenylpropan-2-yl)phosphonate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
71.09
TPSA
52.6
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
2
Consensus LogP
2.88
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly 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)
-1.87
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
2
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