CAS RN: 1033805-23-0
1-(2-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanone
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.20250302 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-004893
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1033805-23-0 / 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanone
1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanone | RefChem:74070 | 812-362-4
Basic Information
CAS
1033805-23-0
Multi CAS
No
Molecular Formula
C8H3BrClF3O
Molecular Weight
287.460000
Exact Mass
285.900790
SMILES
C1=CC(=C(C=C1Cl)Br)C(=O)C(F)(F)F
InChI
InChI=1S/C8H3BrClF3O/c9-6-3-4(10)1-2-5(6)7(14)8(11,12)13/h1-3H
InChIKey
FAKFWQATIYZKFW-UHFFFAOYSA-N
Synonyms
1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanone
RefChem:74070
812-362-4
1-(2-bromo-4-chloro-phenyl)-2,2,2-trifluoro-ethanone
Ethanone, 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoro-
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.54
TPSA
17.07
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
4
Consensus LogP
3.75
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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