Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
6231-18-1 / 2,6-dimethoxypyridine
Basic Information
CAS
6231-18-1
Multi CAS
Yes
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3
InChIKey
IBTGEEMBZJBBSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.34
TPSA
31.35
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
2.3
Consensus LogP
1.45
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
