CAS RN: 409346-70-9
6-BROMO-2-CHLORO-3-ETHYLQUINOLINE
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.20251128 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS409346-70-9
- Purity/Analytical Methods: >99.0%
409346-70-9 / 6-bromo-2-chloro-3-ethylquinoline
Basic Information
CAS
409346-70-9
Multi CAS
No
Molecular Formula
C11H9BRCLN
Molecular Weight
270.550000
Exact Mass
268.960690
InChI
InChI=1S/C11H9BrClN/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKey
RDBIGYMOEAEGJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.83
TPSA
12.89
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
4.6
Consensus LogP
4.18
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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