CAS RN: 1806327-60-5
3,4-Dibromo-5-fluoroaniline
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.20260510 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1806327-60-5
- Purity/Analytical Methods: >99.0%
1806327-60-5 / 3,4-dibromo-5-fluoroaniline
Basic Information
CAS
1806327-60-5
Multi CAS
No
Molecular Formula
C6H4Br2FN
Molecular Weight
268.910000
Exact Mass
268.867400
SMILES
C1=C(C=C(C(=C1F)Br)Br)N
InChI
InChI=1S/C6H4Br2FN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2
InChIKey
JKIPJFYUOJWSNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.21
TPSA
26.02
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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