CAS RN: 59886-90-7
4-Chloro-2,3-dimethylpyridine N-Oxide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTC2820
- Purity/Analytical Methods: >98.0%(GC)(T)
59886-90-7 / 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
Basic Information
CAS
59886-90-7
Multi CAS
Yes
Molecular Formula
C7H8CLNO
Molecular Weight
157.600000
Exact Mass
157.029442
InChI
InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
InChIKey
MCUYHRNUDDANSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
39.89
TPSA
26.94
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately 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)
-2.55
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
