CAS RN: 1366131-38-5
5-broMo-4-Methyl-2-(Methyloxy)-3-pyridinaMine
- Product code: SSC-045655
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 | Shanghai | Inquiry |
1366131-38-5 / 5-bromo-2-methoxy-4-methylpyridin-3-amine
Basic Information
CAS
1366131-38-5
Multi CAS
No
Molecular Formula
C7H9BrN2O
Molecular Weight
217.060000
Exact Mass
215.989830
SMILES
CC1=C(C(=NC=C1Br)OC)N
InChI
InChI=1S/C7H9BrN2O/c1-4-5(8)3-10-7(11-2)6(4)9/h3H,9H2,1-2H3
InChIKey
PFIKOULGWGXGPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.64
TPSA
48.14
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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