CAS RN: 22387-37-7
1H-Purin-6-amine, 8-methyl- (9CI)
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-109121
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
22387-37-7 / 8-methyl-7H-purin-6-amine
Basic Information
CAS
22387-37-7
Multi CAS
No
Molecular Formula
C6H7N5
Molecular Weight
149.150000
Exact Mass
149.070145
SMILES
CC1=NC2=NC=NC(=C2N1)N
InChI
InChI=1S/C6H7N5/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
ORUIZIXJCCIGAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.83
TPSA
80.48
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
1
Consensus LogP
0.48
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.46
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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