CAS RN: 28495-88-7
1-METHYL-5-NITROURACIL
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.20251028 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28495-88-7
- Purity/Analytical Methods: >99.0%
28495-88-7 / 1-methyl-5-nitropyrimidine-2,4-dione
Basic Information
CAS
28495-88-7
Multi CAS
Yes
Molecular Formula
C5H5N3O4
Molecular Weight
171.110000
Exact Mass
171.028006
InChI
InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(9)6-5(7)10/h2H,1H3,(H,6,9,10)
InChIKey
JTVBCXIVJCAUBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
38.96
TPSA
98
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.9
XLogP3
-0.8
Consensus LogP
-0.91
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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