CAS RN: 5470-24-6
6-Chloro-9-phenyl-9H-purine
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.20250716 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5470-24-6
- Purity/Analytical Methods: >99.0%
5470-24-6 / 6-chloro-9-phenylpurine
Basic Information
CAS
5470-24-6
Multi CAS
Yes
Molecular Formula
C11H7CLN4
Molecular Weight
230.650000
Exact Mass
230.035924
InChI
InChI=1S/C11H7ClN4/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h1-7H
InChIKey
MNWAWPZGZXXLBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
61.67
TPSA
43.6
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
