CAS RN: 1086383-70-1
Pyridazine, 3-broMo-6isopropyl
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.20250731 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1086383-70-1
- Purity/Analytical Methods: >99.0%
1086383-70-1 / 3-bromo-6-propan-2-ylpyridazine
3-Bromo-6-isopropylpyridazine | 3-Bromo-6-isopropyl-pyridazine | Pyridazine, 3-broMo-6isopropyl
Basic Information
CAS
1086383-70-1
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC(C)C1=NN=C(C=C1)Br
InChI
InChI=1S/C7H9BrN2/c1-5(2)6-3-4-7(8)10-9-6/h3-5H,1-2H3
InChIKey
JUILXVOYPCXJHW-UHFFFAOYSA-N
Synonyms
3-Bromo-6-isopropylpyridazine
3-Bromo-6-isopropyl-pyridazine
Pyridazine, 3-broMo-6isopropyl
MFCD11223461
3-bromo-6-propan-2-ylpyridazine
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.82
TPSA
25.78
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.27
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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