CAS RN: 1416979-46-8
1-(1-BroMo-2,2,2-trifluoro-ethyl)-3,5-dichloro-benzene
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.20250515 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-052274
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 | Shenzhen | Inquiry |
1416979-46-8 / 1-(1-bromo-2,2,2-trifluoroethyl)-3,5-dichlorobenzene
Basic Information
CAS
1416979-46-8
Multi CAS
No
Molecular Formula
C8H4BrCl2F3
Molecular Weight
307.920000
Exact Mass
305.882550
SMILES
C1=C(C=C(C=C1Cl)Cl)C(C(F)(F)F)Br
InChI
InChI=1S/C8H4BrCl2F3/c9-7(8(12,13)14)4-1-5(10)3-6(11)2-4/h1-3,7H
InChIKey
WGCJPCOBAJCKHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.19
TPSA
0.0000
LogP / Solubility
WLOGP
4.99
MLOGP
4.41
XLogP3
4.9
Consensus LogP
4.77
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.05
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
2
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