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: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 504-07-4
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.25g |
>98% |
5
In Stock
|
Shenzhen |
Inquiry |
| 1g |
>98% |
5
In Stock
|
Shanghai |
Inquiry |
| 5g |
>98% |
5
In Stock
|
Shenzhen |
Inquiry |
| 10g |
>98% |
5
In Stock
|
Shenzhen |
Inquiry |
| 25g |
>98% |
5
In Stock
|
Beijing |
Inquiry |
| 100g |
>98% |
5
In Stock
|
Beijing |
Inquiry |
| 500g |
>98% |
1
In Stock
|
Shanghai |
Inquiry |
504-07-4 / 1,3-diazinane-2,4-dione
Standard CAS: 504-07-4
Multi CAS: Yes
Basic Information
CAS
504-07-4
Multi CAS
Yes
Molecular Formula
C4H6N2O2
Molecular Weight
114.100000
Exact Mass
114.042927
InChI
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKey
OIVLITBTBDPEFK-UHFFFAOYSA-N
Physical Properties
Melting Point
279 - 281 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.16
TPSA
58.2
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.7
XLogP3
-1.1
Consensus LogP
-0.86
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5