CAS RN: 1255098-99-7
3-chloro-6-cyclobutylpyridazine
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.20250224 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1255098-99-7
- Purity/Analytical Methods: >99.0%
1255098-99-7 / 3-chloro-6-cyclobutylpyridazine
Basic Information
CAS
1255098-99-7
Multi CAS
No
Molecular Formula
C8H9ClN2
Molecular Weight
168.620000
Exact Mass
168.045426
SMILES
C1CC(C1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-5-4-7(10-11-8)6-2-1-3-6/h4-6H,1-3H2
InChIKey
UXORSADDKVRTOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.63
TPSA
25.78
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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