CAS RN: 23794-16-3
2-Bromo-1-(2-chloropyridin-4-yl)ethanone
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-115858
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: 0.1g, 0.25g, 1g, 25g, 5g, 10g, 1000g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 3 In Stock | Beijing | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
23794-16-3 / 2-bromo-1-(2-chloro-4-pyridinyl)ethanone
Basic Information
CAS
23794-16-3
Multi CAS
No
Molecular Formula
C7H5BrClNO
Molecular Weight
234.480000
Exact Mass
232.924300
SMILES
C1=CN=C(C=C1C(=O)CBr)Cl
InChI
InChI=1S/C7H5BrClNO/c8-4-6(11)5-1-2-10-7(9)3-5/h1-3H,4H2
InChIKey
BZWBRLWSWBQIBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.37
TPSA
29.96
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.51
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
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