CAS RN: 1428126-74-2
2-Aminopurine (hydrochloride)
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.20250106 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1428126-74-2
- Purity/Analytical Methods: >99.0%
1428126-74-2 / 7H-purin-2-amine;dihydrochloride
Basic Information
CAS
1428126-74-2
Multi CAS
No
Molecular Formula
C5H7Cl2N5
Molecular Weight
208.050000
Exact Mass
207.007851
SMILES
C1=C2C(=NC(=N1)N)N=CN2.Cl.Cl
InChI
InChI=1S/C5H5N5.2ClH/c6-5-7-1-3-4(10-5)9-2-8-3;;/h1-2H,(H3,6,7,8,9,10);2*1H
InChIKey
ZMYNIVFDDGHSJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.59
TPSA
80.48
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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