CAS RN: 1622844-17-0
2,4-Dibromo-6-fluoropyridine
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.20250213 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1622844-17-0
- Purity/Analytical Methods: >99.0%
1622844-17-0 / 2,4-dibromo-6-fluoropyridine
Basic Information
CAS
1622844-17-0
Multi CAS
No
Molecular Formula
C5H2Br2FN
Molecular Weight
254.880000
Exact Mass
254.851750
SMILES
C1=C(C=C(N=C1F)Br)Br
InChI
InChI=1S/C5H2Br2FN/c6-3-1-4(7)9-5(8)2-3/h1-2H
InChIKey
AAPUTQPJTAEWMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
39.6
TPSA
12.89
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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