CAS RN: 1216442-68-0
5-Acetylamino-6-formylamino-3-methyl-d3-uracil
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.20250109 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1216442-68-0
- Purity/Analytical Methods: >99.0%
1216442-68-0 / N-[6-formamido-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]acetamide
Basic Information
CAS
1216442-68-0
Multi CAS
No
Molecular Formula
C8H10N4O4
Molecular Weight
229.210000
Exact Mass
229.089035
SMILES
[2H]C([2H])([2H])N1C(=O)C(=C(NC1=O)NC=O)NC(=O)C
InChI
InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)/i2D3
InChIKey
RDZNZFGKEVDNPK-BMSJAHLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
56.29
TPSA
113.06
LogP / Solubility
WLOGP
-1.4
MLOGP
-1.23
XLogP3
-2
Consensus LogP
-1.54
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
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)
-5.09
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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