CAS RN: 1015242-41-7
5-broMo-2-(1-Methylpiperidin-4-yloxy)pyridine
- Product code: SSC-002355
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 |
1015242-41-7 / 5-bromo-2-(1-methylpiperidin-4-yl)oxypyridine
5-bromo-2-((1-methylpiperidin-4-yl)oxy)pyridine | 5-bromo-2-(1-methylpiperidin-4-yl)oxypyridine | 5-broMo-2-(1-Methylpiperidin-4-yloxy)pyridine
Basic Information
CAS
1015242-41-7
Multi CAS
No
Molecular Formula
C11H15BrN2O
Molecular Weight
271.150000
Exact Mass
270.036780
SMILES
CN1CCC(CC1)OC2=NC=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2O/c1-14-6-4-10(5-7-14)15-11-3-2-9(12)8-13-11/h2-3,8,10H,4-7H2,1H3
InChIKey
VXHCMJLQCOBSKQ-UHFFFAOYSA-N
Synonyms
5-bromo-2-((1-methylpiperidin-4-yl)oxy)pyridine
5-bromo-2-(1-methylpiperidin-4-yl)oxypyridine
5-broMo-2-(1-Methylpiperidin-4-yloxy)pyridine
5-bromo-2-[(1-methylpiperidin-4-yl)oxy]pyridine
MFCD13190740
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.08
TPSA
25.36
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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