CAS RN: 1369499-08-0
8-bromo-5-fluoro-6-methoxyquinoline
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.20251114 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1369499-08-0
- Purity/Analytical Methods: >99.0%
1369499-08-0 / 8-bromo-5-fluoro-6-methoxyquinoline
Basic Information
CAS
1369499-08-0
Multi CAS
No
Molecular Formula
C10H7BrFNO
Molecular Weight
256.070000
Exact Mass
254.969500
SMILES
COC1=CC(=C2C(=C1F)C=CC=N2)Br
InChI
InChI=1S/C10H7BrFNO/c1-14-8-5-7(11)10-6(9(8)12)3-2-4-13-10/h2-5H,1H3
InChIKey
YNPRIZUYHXTIKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.95
TPSA
22.12
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.05
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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