CAS RN: 1214342-60-5
3-Bromo-5-fluoropyridin-4-ol
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.20260115 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1214342-60-5
- Purity/Analytical Methods: >99.0%
1214342-60-5 / 3-bromo-5-fluoro-1H-pyridin-4-one
Basic Information
CAS
1214342-60-5
Multi CAS
No
Molecular Formula
C5H3BrFNO
Molecular Weight
191.990000
Exact Mass
190.938200
SMILES
C1=C(C(=O)C(=CN1)Br)F
InChI
InChI=1S/C5H3BrFNO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
GNXBRKDCLLYOHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.72
TPSA
32.86
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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