CAS RN: 214342-63-9
4-BROMO-1-METHYLPYRIDIN-2(1H)-ONE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
- Product code: SSC-102752
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 5g, 10g, 1g, 100g, 500g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
214342-63-9 / 4-bromo-1-methylpyridin-2-one
Basic Information
CAS
214342-63-9
Multi CAS
No
Molecular Formula
C6H6BrNO
Molecular Weight
188.020000
Exact Mass
186.963280
SMILES
CN1C=CC(=CC1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3
InChIKey
YFOQSLIPUHGGQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
Molar refractivity
39.38
TPSA
22
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.99
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.05
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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