![CAS 769951-32-8 7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769951-32-8.gif)
CAS RN: 769951-32-8
7H-Pyrrolo[2,3-d]pyrimidin-4-amine sulphate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS769951-32-8
- Purity/Analytical Methods: >99.0%
769951-32-8 / 7H-pyrrolo[2,3-d]pyrimidin-4-amine;sulfuric acid
Basic Information
CAS
769951-32-8
Multi CAS
No
Molecular Formula
C6H8N4O4S
Molecular Weight
232.220000
Exact Mass
232.026626
InChI
InChI=1S/C6H6N4.H2O4S/c7-5-4-1-2-8-6(4)10-3-9-5;1-5(2,3)4/h1-3H,(H3,7,8,9,10);(H2,1,2,3,4)
InChIKey
ZVFLCRGXDSPVKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
52.48
TPSA
142.19
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.11
Consensus LogP
-0.11
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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