CAS RN: 2306264-10-6
6-bromo-8-fluoro-quinoline-3-carboxylic acid
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.20250905 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2306264-10-6
- Purity/Analytical Methods: >99.0%
2306264-10-6 / 6-bromo-8-fluoroquinoline-3-carboxylic acid
Basic Information
CAS
2306264-10-6
Multi CAS
No
Molecular Formula
C10H5BrFNO2
Molecular Weight
270.050000
Exact Mass
268.948770
SMILES
C1=C2C=C(C=NC2=C(C=C1Br)F)C(=O)O
InChI
InChI=1S/C10H5BrFNO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)8(12)3-7/h1-4H,(H,14,15)
InChIKey
CYAJEIMNDIIODS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.36
TPSA
50.19
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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