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CAS 1150618-23-7 1-(3-broMoquinolin-6-yl)ethanone molecular structure lightbox
CAS RN: 1150618-23-7

1-(3-broMoquinolin-6-yl)ethanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250510 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-014793
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1150618-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1150618-23-7 / 1-(3-bromoquinolin-6-yl)ethanone

1-(3-bromoquinolin-6-yl)ethanone | 1-(3-Bromoquinolin-6-yl)ethan-1-one | MFCD12024483

Standard CAS: 1150618-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150618-23-7
Multi CAS
No
Molecular Formula
C11H8BrNO
Molecular Weight
250.090000
Exact Mass
248.978930
SMILES
CC(=O)C1=CC2=CC(=CN=C2C=C1)Br
InChI
InChI=1S/C11H8BrNO/c1-7(14)8-2-3-11-9(4-8)5-10(12)6-13-11/h2-6H,1H3
InChIKey
AYEUSAZLYWJBOM-UHFFFAOYSA-N
Synonyms
1-(3-bromoquinolin-6-yl)ethanone 1-(3-Bromoquinolin-6-yl)ethan-1-one MFCD12024483 Ethanone, 1-(3-bromo-6-quinolinyl)- 1-(3-bromo-6-quinolyl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.45
TPSA
29.96

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
2.3
Consensus LogP
2.77
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-1.97

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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