CAS RN: 23079-73-4
3-Bromo-2,4,6-trimethylpyridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-112494
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 |
23079-73-4 / 3-bromo-2,4,6-trimethylpyridine
Basic Information
CAS
23079-73-4
Multi CAS
No
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
CC1=CC(=NC(=C1Br)C)C
InChI
InChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
InChIKey
HDIJRNSEQXUVPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
1
Molar refractivity
46.15
TPSA
12.89
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-1.97
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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