![CAS 1883825-48-6 2-[(6-ethoxy-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-Benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883825-48-6.gif)
CAS RN: 1883825-48-6
2-[(6-ethoxy-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-Benzonitrile
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1883825-48-6
- Purity/Analytical Methods: >99.0%
1883825-48-6 / 2-[(6-ethoxy-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
Basic Information
CAS
1883825-48-6
Multi CAS
No
Molecular Formula
C15H15N3O3
Molecular Weight
285.300000
Exact Mass
285.111341
SMILES
CCOC1=CC(=O)N(C(=O)N1CC2=CC=CC=C2C#N)C
InChI
InChI=1S/C15H15N3O3/c1-3-21-14-8-13(19)17(2)15(20)18(14)10-12-7-5-4-6-11(12)9-16/h4-8H,3,10H2,1-2H3
InChIKey
DLQKLBZFCYJULD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
77.37
TPSA
77.02
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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