CAS RN: 53925-27-2
2-METHYL-5-NITRO-PYRIMIDINE-4,6-DIOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260102 | 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-161342
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
53925-27-2 / 4-hydroxy-2-methyl-5-nitro-1H-pyrimidin-6-one
Basic Information
CAS
53925-27-2
Multi CAS
Yes
Molecular Formula
C5H5N3O4
Molecular Weight
171.110000
Exact Mass
171.028006
InChI
InChI=1S/C5H5N3O4/c1-2-6-4(9)3(8(11)12)5(10)7-2/h1H3,(H2,6,7,9,10)
InChIKey
MRYKPLCGITXZRW-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
2
Molar refractivity
37.91
TPSA
109.12
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.98
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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