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CAS 22293-60-3 5-ACETYL-6-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE molecular structure lightbox
CAS RN: 22293-60-3

5-ACETYL-6-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE

  • Product code: SSC-108331
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22293-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

22293-60-3 / 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione

Standard CAS: 22293-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22293-60-3
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
CC1=C(C(=O)NC(=O)N1)C(=O)C
InChI
InChI=1S/C7H8N2O3/c1-3-5(4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKey
YVGRMDHVDOHDAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.42
TPSA
82.79

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.7
Consensus LogP
-0.5
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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