CAS RN: 31557-34-3

2,3,5-trichloro-6-methoxypyridine

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Batchno.20260325 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS31557-34-3
  • Purity/Analytical Methods: >99.0%
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31557-34-3 / 2,3,5-trichloro-6-methoxypyridine

Standard CAS: 31557-34-3 Multi CAS: Yes

Basic Information

CAS
31557-34-3
Multi CAS
Yes
Molecular Formula
C6H4CL3NO
Molecular Weight
212.500000
Exact Mass
210.935847
InChI
InChI=1S/C6H4Cl3NO/c1-11-6-4(8)2-3(7)5(9)10-6/h2H,1H3
InChIKey
RLIVUWLXZBDMBL-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
2
Molar refractivity
45.82
TPSA
22.12

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-1.85

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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