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CAS 312693-53-1 8-AMINO-6-METHOXYQUINOLINE HYDROBROMIDE& molecular structure lightbox
CAS RN: 312693-53-1

8-AMINO-6-METHOXYQUINOLINE HYDROBROMIDE&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS312693-53-1
  • Purity/Analytical Methods: >99.0%
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312693-53-1 / 6-methoxyquinolin-8-amine;hydrobromide

Standard CAS: 312693-53-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312693-53-1
Multi CAS
Yes
Molecular Formula
BC10H11ORn2
Molecular Weight
255.110000
Exact Mass
254.005480
InChI
InChI=1S/C10H10N2O.BrH/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8;/h2-6H,11H2,1H3;1H
InChIKey
WGYQQCWLZRGIKB-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
3
H-bond donors
1
Molar refractivity
63.03
TPSA
48.14

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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