CAS RN: 1346597-52-1
Ethyl 2-(2-Methoxy-5-pyriMidinyl)-2-oxoacetate
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.20260214 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042539
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1346597-52-1 / ethyl 2-(2-methoxypyrimidin-5-yl)-2-oxoacetate
Basic Information
CAS
1346597-52-1
Multi CAS
No
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
SMILES
CCOC(=O)C(=O)C1=CN=C(N=C1)OC
InChI
InChI=1S/C9H10N2O4/c1-3-15-8(13)7(12)6-4-10-9(14-2)11-5-6/h4-5H,3H2,1-2H3
InChIKey
BENZQDKAHBKPQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
49.55
TPSA
78.38
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.6
Consensus LogP
0.34
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.84
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
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