CAS RN: 20128-29-4
6-AMino-9H-purine-9-acetic Acid
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.20250524 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS20128-29-4
- Purity/Analytical Methods: >99.0%
20128-29-4 / 2-(6-aminopurin-9-yl)acetic acid
Basic Information
CAS
20128-29-4
Multi CAS
No
Molecular Formula
C7H7N5O2
Molecular Weight
193.160000
Exact Mass
193.059974
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(=O)O)N
InChI
InChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10)
InChIKey
HHVNWGFYTKKIJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
47.37
TPSA
106.92
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.4
Consensus LogP
-0.45
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-4.26
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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