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CAS 120287-30-1 8-bromo-6-nitroquinoline molecular structure lightbox
CAS RN: 120287-30-1

8-bromo-6-nitroquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 25mg / 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021159
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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 120287-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

120287-30-1 / 8-bromo-6-nitroquinoline

8-BROMO-6-NITROQUINOLINE | MFCD26407176 | 6-nitro-8-bromoquinoline

Standard CAS: 120287-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120287-30-1
Multi CAS
No
Molecular Formula
C9H5BrN2O2
Molecular Weight
253.050000
Exact Mass
251.953440
SMILES
C1=CC2=CC(=CC(=C2N=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O2/c10-8-5-7(12(13)14)4-6-2-1-3-11-9(6)8/h1-5H
InChIKey
ROMYKZIUOIXCRR-UHFFFAOYSA-N
Synonyms
8-BROMO-6-NITROQUINOLINE MFCD26407176 6-nitro-8-bromoquinoline 8-bromo-6-nitro-quinoline SCHEMBL15007822

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.1
TPSA
56.03

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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