CAS RN: 219543-69-8
4-HYDROXY-5-NITROPYRIMIDINE
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.20251231 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS219543-69-8
- Purity/Analytical Methods: >99.0%
219543-69-8 / 5-nitro-1H-pyrimidin-6-one
Basic Information
CAS
219543-69-8
Multi CAS
No
Molecular Formula
C4H3N3O3
Molecular Weight
141.090000
Exact Mass
141.017441
SMILES
C1=C(C(=O)NC=N1)[N+](=O)[O-]
InChI
InChI=1S/C4H3N3O3/c8-4-3(7(9)10)1-5-2-6-4/h1-2H,(H,5,6,8)
InChIKey
LLVGNTFQVMZZPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.51
TPSA
88.89
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.7
Consensus LogP
-0.44
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.81
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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