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CAS 1153001-12-7 8-Bromo-2,6-dimethyl-4-hydroxyquinoline molecular structure lightbox
CAS RN: 1153001-12-7

8-Bromo-2,6-dimethyl-4-hydroxyquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1153001-12-7
  • Purity/Analytical Methods: >99.0%
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1153001-12-7 / 8-bromo-2,6-dimethyl-1H-quinolin-4-one

8-Bromo-2,6-dimethyl-4-hydroxyquinoline | 8-Bromo-2,6-dimethyl-1,4-dihydroquinolin-4-one | MFCD12675049

Standard CAS: 1153001-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1153001-12-7
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CC1=CC2=C(C(=C1)Br)NC(=CC2=O)C
InChI
InChI=1S/C11H10BrNO/c1-6-3-8-10(14)5-7(2)13-11(8)9(12)4-6/h3-5H,1-2H3,(H,13,14)
InChIKey
HEKLBCUVAQOZMI-UHFFFAOYSA-N
Synonyms
8-Bromo-2,6-dimethyl-4-hydroxyquinoline 8-Bromo-2,6-dimethyl-1,4-dihydroquinolin-4-one MFCD12675049 8-Bromo-2,6-dimethylquinolin-4(1H)-one 8-bromo-2,6-dimethyl-1H-quinolin-4-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.74
TPSA
32.86

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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