Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 626-48-2
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 25g |
-- |
5
In Stock
|
Hong Kong |
Inquiry |
| 25g |
>97% |
5
In Stock
|
Shanghai |
Inquiry |
| 100g |
-- |
5
In Stock
|
Shanghai |
Inquiry |
| 100g |
>97% |
5
In Stock
|
Beijing |
Inquiry |
| 500g |
-- |
0
Out of Stock
|
Shanghai |
Inquiry |
| 500g |
>97% |
0
Out of Stock
|
Shanghai |
Inquiry |
626-48-2 / 6-methyl-1H-pyrimidine-2,4-dione
Standard CAS: 626-48-2
Multi CAS: Yes
Basic Information
CAS
626-48-2
Multi CAS
Yes
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey
SHVCSCWHWMSGTE-UHFFFAOYSA-N
Physical Properties
Appearance
CRYSTALS FROM GLACIAL ACETIC ACID
OCTAHEDRAL PRISMS OR NEEDLES FROM WATER OR ALCOHOL
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.42
TPSA
65.72
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.56
XLogP3
-0.8
Consensus LogP
-0.66
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5