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: 5g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
107512-35-6 / 3,4-dimethoxy-2-methylpyridine
3,4-dimethoxy-2-methylpyridine | pyridine, 3,4-dimethoxy-2-methyl- | RefChem:91169
Basic Information
CAS
107512-35-6
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
CC1=NC=CC(=C1OC)OC
InChI
InChI=1S/C8H11NO2/c1-6-8(11-3)7(10-2)4-5-9-6/h4-5H,1-3H3
InChIKey
VPGBIRMKRPLRKJ-UHFFFAOYSA-N
Synonyms
3,4-dimethoxy-2-methylpyridine
pyridine, 3,4-dimethoxy-2-methyl-
RefChem:91169
InChI=1/C8H11NO2/c1-6-8(11-3)7(10-2)4-5-9-6/h4-5H,1-3H
MFCD16610899
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
1.2
Consensus LogP
1.28
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
