CAS RN: 52465-59-5
2,3,6-Trichloro-5-(chloromethyl)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.20260326 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52465-59-5
- Purity/Analytical Methods: >99.0%
52465-59-5 / 2,3,6-trichloro-5-(chloromethyl)pyridine
Basic Information
CAS
52465-59-5
Multi CAS
No
Molecular Formula
C6H3CL4N
Molecular Weight
230.900000
Exact Mass
230.899010
InChI
InChI=1S/C6H3Cl4N/c7-2-3-1-4(8)6(10)11-5(3)9/h1H,2H2
InChIKey
DGRWKOIUYLWSEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.82
TPSA
12.89
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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