![CAS 24521-76-4 4-HYDROXY-6-MERCAPTOPYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24521-76-4.gif)
CAS RN: 24521-76-4
4-HYDROXY-6-MERCAPTOPYRAZOLO[3,4-D]PYRIMIDINE
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.20251127 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24521-76-4
- Purity/Analytical Methods: >99.0%
24521-76-4 / 6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
Basic Information
CAS
24521-76-4
Multi CAS
No
Molecular Formula
C5H4N4OS
Molecular Weight
168.180000
Exact Mass
168.010582
SMILES
C1=NNC2=C1C(=O)NC(=S)N2
InChI
InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
SXRSXYWROQWSGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.9
TPSA
77.33
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
-0.3
Consensus LogP
0.09
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.53
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
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