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CAS 1201844-77-0 6-BroMo-3-Methoxyquinoline molecular structure lightbox
CAS RN: 1201844-77-0

6-BroMo-3-Methoxyquinoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250207 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1201844-77-0
  • Purity/Analytical Methods: >99.0%
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1201844-77-0 / 6-bromo-3-methoxyquinoline

6-Bromo-3-methoxyquinoline | Quinoline, 6-bromo-3-methoxy- | 6-bromo-3-methoxy-quinoline

Standard CAS: 1201844-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201844-77-0
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
COC1=CN=C2C=CC(=CC2=C1)Br
InChI
InChI=1S/C10H8BrNO/c1-13-9-5-7-4-8(11)2-3-10(7)12-6-9/h2-6H,1H3
InChIKey
CZBFNDVOWSXIFQ-UHFFFAOYSA-N
Synonyms
6-Bromo-3-methoxyquinoline Quinoline, 6-bromo-3-methoxy- 6-bromo-3-methoxy-quinoline MFCD26400835 SCHEMBL360304

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56
TPSA
22.12

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.04

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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