CAS RN: 2060024-61-3
Pyridine, 5-bromo-4-methyl-2-(1-methylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-097081
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 | Hong Kong | Inquiry |
2060024-61-3 / 5-bromo-4-methyl-2-propan-2-ylpyridine
Basic Information
CAS
2060024-61-3
Multi CAS
No
Molecular Formula
C9H12BrN
Molecular Weight
214.100000
Exact Mass
213.015310
SMILES
CC1=CC(=NC=C1Br)C(C)C
InChI
InChI=1S/C9H12BrN/c1-6(2)9-4-7(3)8(10)5-11-9/h4-6H,1-3H3
InChIKey
SJXJOMHSZXTXIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.76
TPSA
12.89
LogP / Solubility
WLOGP
3.28
MLOGP
2.88
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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