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CAS 698392-18-6 5-BroMo-4-Methylquinoline molecular structure lightbox
CAS RN: 698392-18-6

5-BroMo-4-Methylquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS698392-18-6
  • Purity/Analytical Methods: >99.0%
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698392-18-6 / 5-bromo-4-methylquinoline

Standard CAS: 698392-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
698392-18-6
Multi CAS
No
Molecular Formula
BC10H8Rn
Molecular Weight
222.080000
Exact Mass
220.984010
InChI
InChI=1S/C10H8BrN/c1-7-5-6-12-9-4-2-3-8(11)10(7)9/h2-6H,1H3
InChIKey
OSAOJIZGLNLUPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.18
TPSA
12.89

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.73

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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