CAS RN: 1375065-02-3
Ethanone, 1-(2,4,6-trichloropyriMidin-5-yl)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-047170
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1375065-02-3 / 1-(2,4,6-trichloropyrimidin-5-yl)ethanone
Basic Information
CAS
1375065-02-3
Multi CAS
No
Molecular Formula
C6H3Cl3N2O
Molecular Weight
225.500000
Exact Mass
223.931096
SMILES
CC(=O)C1=C(N=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3N2O/c1-2(12)3-4(7)10-6(9)11-5(3)8/h1H3
InChIKey
WSYWQFNIYCGPFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.07
TPSA
42.85
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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