CAS RN: 1204810-21-8
3-Bromo-6-ethoxy-4-hydroxyquinoline
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.20250109 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1204810-21-8
- Purity/Analytical Methods: >99.0%
1204810-21-8 / 3-bromo-6-ethoxy-1H-quinolin-4-one
3-bromo-6-ethoxyquinolin-4-ol | 3-Bromo-6-ethoxy-4-hydroxyquinoline | 3-bromo-6-ethoxy-1H-quinolin-4-one
Basic Information
CAS
1204810-21-8
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CCOC1=CC2=C(C=C1)NC=C(C2=O)Br
InChI
InChI=1S/C11H10BrNO2/c1-2-15-7-3-4-10-8(5-7)11(14)9(12)6-13-10/h3-6H,2H2,1H3,(H,13,14)
InChIKey
BPWOTAUMTNBLFG-UHFFFAOYSA-N
Synonyms
3-bromo-6-ethoxyquinolin-4-ol
3-Bromo-6-ethoxy-4-hydroxyquinoline
3-bromo-6-ethoxy-1H-quinolin-4-one
MFCD13192862
3-Bromo-6-ethoxyquinolin-4(1H)-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.44
TPSA
42.09
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.45
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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