CAS RN: 1143521-89-4
C-(6-Methoxy-2-Methyl-pyridin-3-yl)-MethylaMine
- Product code: SSC-014179
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1143521-89-4 / (6-methoxy-2-methyl-3-pyridinyl)methanamine
(6-methoxy-2-methylpyridin-3-yl)methanamine | MFCD18254388 | C-(6-Methoxy-2-Methyl-pyridin-3-yl)-MethylaMine
Basic Information
CAS
1143521-89-4
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CC1=C(C=CC(=N1)OC)CN
InChI
InChI=1S/C8H12N2O/c1-6-7(5-9)3-4-8(10-6)11-2/h3-4H,5,9H2,1-2H3
InChIKey
URQYGTHIUUUQPG-UHFFFAOYSA-N
Synonyms
(6-methoxy-2-methylpyridin-3-yl)methanamine
MFCD18254388
C-(6-Methoxy-2-Methyl-pyridin-3-yl)-MethylaMine
(6-Methoxy-2-methyl-3-pyridyl)methanamine
1-(6-methoxy-2-methylpyridin-3-yl)methanamine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.42
TPSA
48.14
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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