CAS RN: 1794768-19-6
(4-AMino-1,2,3,6-tetrahydro-1-Methyl-d3-2,6-dioxo-5-pyriMidinyl)-carbaMic Acid Ethyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794768-19-6
- Purity/Analytical Methods: >99.0%
1794768-19-6 / ethyl N-[6-amino-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]carbamate
Basic Information
CAS
1794768-19-6
Multi CAS
No
Molecular Formula
C8H12N4O4
Molecular Weight
231.220000
Exact Mass
231.104685
SMILES
[2H]C([2H])([2H])N1C(=O)C(=C(NC1=O)N)NC(=O)OCC
InChI
InChI=1S/C8H12N4O4/c1-3-16-8(15)10-4-5(9)11-7(14)12(2)6(4)13/h3,9H2,1-2H3,(H,10,15)(H,11,14)/i2D3
InChIKey
OJERWLCKFBQUEA-BMSJAHLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
57.36
TPSA
119.21
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.68
XLogP3
-1.1
Consensus LogP
-0.85
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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