CAS RN: 2706-92-5
6-Chloro-9H-purine-2-sulfonyl fluoride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2706-92-5
- Purity/Analytical Methods: >99.0%
2706-92-5 / 6-chloro-7H-purine-2-sulfonyl fluoride
Basic Information
CAS
2706-92-5
Multi CAS
No
Molecular Formula
C5H2ClFN4O2S
Molecular Weight
236.610000
Exact Mass
235.957102
SMILES
C1=NC2=C(N1)C(=NC(=N2)S(=O)(=O)F)Cl
InChI
InChI=1S/C5H2ClFN4O2S/c6-3-2-4(9-1-8-2)11-5(10-3)14(7,12)13/h1H,(H,8,9,10,11)
InChIKey
QVUAWHQMKAWAFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.99
TPSA
88.6
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
0.9
Consensus LogP
0.72
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.69
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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