CAS RN: 5264-17-5
4-(4-CHLOROBUTYL) PYRIDINE
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.20260307 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS5264-17-5
- Purity/Analytical Methods: >99.0%
5264-17-5 / 4-(4-chlorobutyl)pyridine
Basic Information
CAS
5264-17-5
Multi CAS
No
Molecular Formula
C9H12CLN
Molecular Weight
169.650000
Exact Mass
169.065827
InChI
InChI=1S/C9H12ClN/c10-6-2-1-3-9-4-7-11-8-5-9/h4-5,7-8H,1-3,6H2
InChIKey
OMVNWHFRVCCONY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
47.9
TPSA
12.89
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
2.2
Consensus LogP
2.39
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
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)
-1.88
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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