CAS RN: 576-82-9
1,2,3-TRIBROMO-5-FLUOROBENZENE
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.20250518 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS576-82-9
- Purity/Analytical Methods: >99.0%
576-82-9 / 1,2,3-tribromo-5-fluorobenzene
Basic Information
CAS
576-82-9
Multi CAS
Yes
Molecular Formula
C6H2BR3F
Molecular Weight
332.790000
Exact Mass
331.767020
InChI
InChI=1S/C6H2Br3F/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
FMIFEFSTHLAERU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
49.5
TPSA
0.0000
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
4.1
Consensus LogP
3.95
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-1.83
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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