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CAS 1189106-90-8 7-Bromo-4-hydroxy-8-methyl-2-propylquinoline molecular structure lightbox
CAS RN: 1189106-90-8

7-Bromo-4-hydroxy-8-methyl-2-propylquinoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189106-90-8
  • Purity/Analytical Methods: >99.0%
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1189106-90-8 / 7-bromo-8-methyl-2-propyl-1H-quinolin-4-one

7-Bromo-8-methyl-2-propylquinoline-4-ol | 7-bromo-8-methyl-2-propylquinolin-4-ol | 7-Bromo-4-hydroxy-8-methyl-2-propylquinoline

Standard CAS: 1189106-90-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189106-90-8
Multi CAS
Yes
Molecular Formula
C13H14BrNO
Molecular Weight
280.160000
Exact Mass
279.025880
SMILES
CCCC1=CC(=O)C2=C(N1)C(=C(C=C2)Br)C
InChI
InChI=1S/C13H14BrNO/c1-3-4-9-7-12(16)10-5-6-11(14)8(2)13(10)15-9/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey
RPCXVHBIUVKGSN-UHFFFAOYSA-N
Synonyms
7-Bromo-8-methyl-2-propylquinoline-4-ol 7-bromo-8-methyl-2-propylquinolin-4-ol 7-Bromo-4-hydroxy-8-methyl-2-propylquinoline MFCD12675128 7-BROMO-8-METHYL-2-PROPYL-1H-QUINOLIN-4-ONE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71
TPSA
32.86

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.8
Consensus LogP
3.49
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly 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)
-1.91

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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