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CAS 1189106-61-3 7-Bromo-4-hydroxy-6-methylquinoline molecular structure lightbox
CAS RN: 1189106-61-3

7-Bromo-4-hydroxy-6-methylquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189106-61-3
  • Purity/Analytical Methods: >99.0%
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1189106-61-3 / 7-bromo-6-methyl-1H-quinolin-4-one

7-Bromo-6-methylquinoline-4-ol | 7-Bromo-4-hydroxy-6-methylquinoline | 7-Bromo-6-methyl-4-quinolinol

Standard CAS: 1189106-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189106-61-3
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
CC1=CC2=C(C=C1Br)NC=CC2=O
InChI
InChI=1S/C10H8BrNO/c1-6-4-7-9(5-8(6)11)12-3-2-10(7)13/h2-5H,1H3,(H,12,13)
InChIKey
XMGQIPKTDVRVGC-UHFFFAOYSA-N
Synonyms
7-Bromo-6-methylquinoline-4-ol 7-Bromo-4-hydroxy-6-methylquinoline 7-Bromo-6-methyl-4-quinolinol 7-bromo-6-methylquinolin-4-ol 7-Bromo-6-methylquinolin-4(1H)-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.01
TPSA
32.86

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.33

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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