CAS RN: 21149-26-8
8-HYDROXYADENINE
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.20260701 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS21149-26-8
- Purity/Analytical Methods: >99.0%
21149-26-8 / 6-amino-7,9-dihydropurin-8-one
Basic Information
CAS
21149-26-8
Multi CAS
No
Molecular Formula
C5H5N5O
Molecular Weight
151.130000
Exact Mass
151.049410
SMILES
C1=NC(=C2C(=N1)NC(=O)N2)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey
RGKBRPAAQSHTED-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
38.92
TPSA
100.45
LogP / Solubility
WLOGP
-0.77
MLOGP
-0.68
XLogP3
-1.2
Consensus LogP
-0.88
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
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)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS211501-36-9
- Purity/Analytical method: >99.0%
