CAS RN: 108122-43-6
2-Chloro-6-isobutoxypyridine
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.20250416 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS108122-43-6
- Purity/Analytical Methods: >99.0%
108122-43-6 / 2-chloro-6-(2-methylpropoxy)pyridine
2-chloro-6-(2-methylpropoxy)pyridine | 2-chloro-6-isobutoxypyridine | Pyridine, 2-chloro-6-(2-methylpropoxy)-
Basic Information
CAS
108122-43-6
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
CC(C)COC1=NC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClNO/c1-7(2)6-12-9-5-3-4-8(10)11-9/h3-5,7H,6H2,1-2H3
InChIKey
YFVRESCNHCTHFL-UHFFFAOYSA-N
Synonyms
2-chloro-6-(2-methylpropoxy)pyridine
2-chloro-6-isobutoxypyridine
Pyridine, 2-chloro-6-(2-methylpropoxy)-
MFCD16987549
2-chloro-6-isobutoxy-pyridine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
49.58
TPSA
22.12
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
3.5
Consensus LogP
2.9
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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