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CAS 889943-95-7 5-BROMO-7-METHYLQUINOLIN-8-AMINE molecular structure lightbox
CAS RN: 889943-95-7

5-BROMO-7-METHYLQUINOLIN-8-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS889943-95-7
  • Purity/Analytical Methods: >99.0%
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889943-95-7 / 5-bromo-7-methylquinolin-8-amine

Standard CAS: 889943-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889943-95-7
Multi CAS
No
Molecular Formula
BC10H9Rn2
Molecular Weight
237.100000
Exact Mass
235.994910
InChI
InChI=1S/C10H9BrN2/c1-6-5-8(11)7-3-2-4-13-10(7)9(6)12/h2-5H,12H2,1H3
InChIKey
HROPQYVYNZOEPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.59
TPSA
38.91

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.6
Consensus LogP
2.68
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.12

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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