CAS RN: 878287-57-1
8-(2,3-difluorophenyl)-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.20260318 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS878287-57-1
- Purity/Analytical Methods: >99.0%
878287-57-1 / 8-(2,3-difluorophenyl)-7H-purine
Basic Information
CAS
878287-57-1
Multi CAS
No
Molecular Formula
C11F2H6N4
Molecular Weight
232.190000
Exact Mass
232.056053
InChI
InChI=1S/C11H6F2N4/c12-7-3-1-2-6(9(7)13)10-16-8-4-14-5-15-11(8)17-10/h1-5H,(H,14,15,16,17)
InChIKey
BQXUVRWLGFOBOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.04
TPSA
54.46
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.5
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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