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CAS 183543-61-5 3-broMo-6-chloro-8-nitroquinoline molecular structure lightbox
CAS RN: 183543-61-5

3-broMo-6-chloro-8-nitroquinoline

  • Product code: SSC-084891
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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: >95%
  • 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 183543-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

183543-61-5 / 3-bromo-6-chloro-8-nitroquinoline

Standard CAS: 183543-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183543-61-5
Multi CAS
No
Molecular Formula
C9H4BrClN2O2
Molecular Weight
287.500000
Exact Mass
285.914470
SMILES
C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Br
InChI
InChI=1S/C9H4BrClN2O2/c10-6-1-5-2-7(11)3-8(13(14)15)9(5)12-4-6/h1-4H
InChIKey
COVFYLACFRNJLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.11
TPSA
56.03

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.3
Consensus LogP
3.33
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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