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CAS 1216061-60-7 7-bromo-2-methylquinolin-8-amine molecular structure lightbox
CAS RN: 1216061-60-7

7-bromo-2-methylquinolin-8-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1216061-60-7
  • Purity/Analytical Methods: >99.0%
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1216061-60-7 / 7-bromo-2-methylquinolin-8-amine

Standard CAS: 1216061-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1216061-60-7
Multi CAS
No
Molecular Formula
C10H9BrN2
Molecular Weight
237.100000
Exact Mass
235.994910
SMILES
CC1=NC2=C(C=C1)C=CC(=C2N)Br
InChI
InChI=1S/C10H9BrN2/c1-6-2-3-7-4-5-8(11)9(12)10(7)13-6/h2-5H,12H2,1H3
InChIKey
CYEBEPMGPRYZCW-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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