CAS RN: 139042-59-4
5-Acetyl-2-bromopyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260108 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-049169
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: 1g, 5g, 25g, 10g, 0.25g, 100g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
139042-59-4 / 1-(6-bromo-3-pyridinyl)ethanone
Basic Information
CAS
139042-59-4
Multi CAS
No
Molecular Formula
C7H6BrNO
Molecular Weight
200.030000
Exact Mass
198.963280
SMILES
CC(=O)C1=CN=C(C=C1)Br
InChI
InChI=1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3
InChIKey
MUKKGHQBUKOMTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.94
TPSA
29.96
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
