![CAS 132336-36-8 P-[[(1S)-2-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132336-36-8.gif)
CAS RN: 132336-36-8
P-[[(1S)-2-[4-(Benzoylamino)-2-oxo-1(2H)-pyrimidinyl]-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid 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.20260611 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS132336-36-8
- Purity/Analytical Methods: >99.0%
132336-36-8 / N-[1-[2-(diethoxyphosphorylmethoxy)-3-hydroxypropyl]-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
132336-36-8
Multi CAS
No
Molecular Formula
C19H26N3O7P
Molecular Weight
439.400000
Exact Mass
439.150837
SMILES
CCOP(=O)(COC(CN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2)CO)OCC
InChI
InChI=1S/C19H26N3O7P/c1-3-28-30(26,29-4-2)14-27-16(13-23)12-22-11-10-17(21-19(22)25)20-18(24)15-8-6-5-7-9-15/h5-11,16,23H,3-4,12-14H2,1-2H3,(H,20,21,24,25)
InChIKey
WYJNVSZEUBNGND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
2
Molar refractivity
110.58
TPSA
128.98
LogP / Solubility
WLOGP
2.1
MLOGP
1.87
Consensus LogP
1.32
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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