![CAS 23771-52-0 4-AMINO-6-MERCAPTOPYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23771-52-0.gif)
CAS RN: 23771-52-0
4-AMINO-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.20251017 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23771-52-0
- Purity/Analytical Methods: >99.0%
23771-52-0 / 4-amino-4,5-dihydropyrazolo[3,4-d]pyrimidine-6-thione
Basic Information
CAS
23771-52-0
Multi CAS
No
Molecular Formula
C5H5N5S
Molecular Weight
167.190000
Exact Mass
167.026566
SMILES
C1=C2C(NC(=S)N=C2N=N1)N
InChI
InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1,3H,6H2,(H,8,11)
InChIKey
BPVCVHDQAQOUQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.08
TPSA
75.13
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.09
XLogP3
-0.7
Consensus LogP
-0.29
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.81
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
2
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- CAS RN: 23772-61-4
- Product Code: starshine_CAS23772-61-4
- Purity/Analytical method: >99.0%
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