CAS RN: 1312535-78-6
1-(2-ChloropyriMidin-4-yl)ethanone
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.20250609 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-037997
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, 0.1g, 0.25g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 11
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1312535-78-6 / 1-(2-chloropyrimidin-4-yl)ethanone
Basic Information
CAS
1312535-78-6
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
CC(=O)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3
InChIKey
ITCRDUUQMVEFAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.05
TPSA
42.85
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.2
Consensus LogP
1.23
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.73
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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