CAS RN: 40828-51-1
2-oxo-1,2-dihydro-pyrimidine-5-sulfonic acid
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.20260206 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40828-51-1
- Purity/Analytical Methods: >99.0%
40828-51-1 / 2-oxo-1H-pyrimidine-5-sulfonic acid
Basic Information
CAS
40828-51-1
Multi CAS
No
Molecular Formula
C4H4N2O4S
Molecular Weight
176.150000
Exact Mass
175.989178
InChI
InChI=1S/C4H4N2O4S/c7-4-5-1-3(2-6-4)11(8,9)10/h1-2H,(H,5,6,7)(H,8,9,10)
InChIKey
NYYIKTWQMCFMMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.67
TPSA
100.12
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.87
XLogP3
-1.8
Consensus LogP
-1.22
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
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)
-4.49
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
