CAS RN: 69603-36-7
2-(2-chloro-ethyl)-5-ethyl-pyridine
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.20250827 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69603-36-7
- Purity/Analytical Methods: >99.0%
69603-36-7 / 2-(2-chloroethyl)-5-ethylpyridine
Basic Information
CAS
69603-36-7
Multi CAS
No
Molecular Formula
C9H12CLN
Molecular Weight
169.650000
Exact Mass
169.065827
InChI
InChI=1S/C9H12ClN/c1-2-8-3-4-9(5-6-10)11-7-8/h3-4,7H,2,5-6H2,1H3
InChIKey
JLDJBDXBFWGQPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
48.04
TPSA
12.89
LogP / Solubility
WLOGP
2.43
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.03
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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