CAS RN: 861019-58-1
2,3-Dimethoxy-6-methylpyridine
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
861019-58-1 / 2,3-dimethoxy-6-methylpyridine
2,3-Dimethoxy-6-methylpyridine | MFCD11857663 | 2,3-dimethoxy-6-methyl-pyridine
Basic Information
CAS
861019-58-1
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
CC1=NC(=C(C=C1)OC)OC
InChI
InChI=1S/C8H11NO2/c1-6-4-5-7(10-2)8(9-6)11-3/h4-5H,1-3H3
InChIKey
LDWADOXHVLPZGT-UHFFFAOYSA-N
Synonyms
2,3-Dimethoxy-6-methylpyridine
MFCD11857663
2,3-dimethoxy-6-methyl-pyridine
SCHEMBL10304986
DTXSID50673849
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
42.08
TPSA
31.35
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
