CAS RN: 1223559-68-9
7-BroMo-2-ethoxyquinoline
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.20260622 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1223559-68-9
- Purity/Analytical Methods: >99.0%
1223559-68-9 / 7-bromo-2-ethoxyquinoline
Basic Information
CAS
1223559-68-9
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CCOC1=NC2=C(C=CC(=C2)Br)C=C1
InChI
InChI=1S/C11H10BrNO/c1-2-14-11-6-4-8-3-5-9(12)7-10(8)13-11/h3-7H,2H2,1H3
InChIKey
JXAZBNWVOXOTIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.61
TPSA
22.12
LogP / Solubility
WLOGP
3.4
MLOGP
2.99
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.85
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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