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CAS 409346-71-0 6-BROMO-3-ETHYL-2-METHOXYQUINOLINE molecular structure lightbox
CAS RN: 409346-71-0

6-BROMO-3-ETHYL-2-METHOXYQUINOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS409346-71-0
  • Purity/Analytical Methods: >99.0%
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409346-71-0 / 6-bromo-3-ethyl-2-methoxyquinoline

Standard CAS: 409346-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
409346-71-0
Multi CAS
No
Molecular Formula
BC12H12ORn
Molecular Weight
266.130000
Exact Mass
265.010230
InChI
InChI=1S/C12H12BrNO/c1-3-8-6-9-7-10(13)4-5-11(9)14-12(8)15-2/h4-7H,3H2,1-2H3
InChIKey
ZCXYMPXXSRBSCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.37
TPSA
22.12

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
4
Consensus LogP
3.57
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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