CAS RN: 42965-55-9
5,6-diaminopyrimidine-2,4-diol sulphate
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.20250811 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS42965-55-9
- Purity/Analytical Methods: >99.0%
42965-55-9 / 5,6-diamino-1H-pyrimidine-2,4-dione;sulfuric acid
Basic Information
CAS
42965-55-9
Multi CAS
Yes
Molecular Formula
C4H8N4O6S
Molecular Weight
240.200000
Exact Mass
240.016455
InChI
InChI=1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)
InChIKey
IKARJSDZQCSEJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
50.69
TPSA
192.36
LogP / Solubility
WLOGP
-2.43
MLOGP
-2.13
XLogP3
-2.43
Consensus LogP
-2.33
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
Class (SILICOS-IT)
Highly 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)
-5.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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