CAS RN: 786693-71-8
2-AMINO-7-METHYL-1H-PURIN-6(7H)-ONE HCL
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.20250209 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS786693-71-8
- Purity/Analytical Methods: >99.0%
786693-71-8 / 2-amino-7-methyl-1H-purin-6-one;hydrochloride
Basic Information
CAS
786693-71-8
Multi CAS
Yes
Molecular Formula
C6H8CLN5O
Molecular Weight
201.610000
Exact Mass
201.041738
InChI
InChI=1S/C6H7N5O.ClH/c1-11-2-8-4-3(11)5(12)10-6(7)9-4;/h2H,1H3,(H3,7,9,10,12);1H
InChIKey
QSUPOMMMOISQBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.79
TPSA
89.59
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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