CAS RN: 166525-49-1
1-Propanone, 1-(4,6-dichloro-3-pyridinyl)-
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.20250330 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-072690
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, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- 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 | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
166525-49-1 / 1-(4,6-dichloro-3-pyridinyl)propan-1-one
Basic Information
CAS
166525-49-1
Multi CAS
No
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.050000
Exact Mass
202.990469
SMILES
CCC(=O)C1=CN=C(C=C1Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-2-7(12)5-4-11-8(10)3-6(5)9/h3-4H,2H2,1H3
InChIKey
CKONKSXZASOTNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.88
TPSA
29.96
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.73
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.85
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
