CAS RN: 36323-92-9
2-chloro-9-methyl-3H-purin-6-one
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.20250203 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS36323-92-9
- Purity/Analytical Methods: >99.0%
36323-92-9 / 2-chloro-9-methyl-5H-purin-6-one
Basic Information
CAS
36323-92-9
Multi CAS
Yes
Molecular Formula
C6H5CLN4O
Molecular Weight
184.580000
Exact Mass
184.015189
InChI
InChI=1S/C6H5ClN4O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H,9,10,12)
InChIKey
GFDFINQSCGJTCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
4
Molar refractivity
45.77
TPSA
57.39
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
0.2
Consensus LogP
-0.02
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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