CAS RN: 263333-82-0
4-BROMO-3,5-DICHLOROFLUOROBENZENE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-123732
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
263333-82-0 / 2-bromo-1,3-dichloro-5-fluorobenzene
Basic Information
CAS
263333-82-0
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)F
InChI
InChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKey
OSXAPJFZNJFFJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
4
Consensus LogP
3.77
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.44
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
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