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CAS 1022091-49-1 5,7-Difluoro-6-bromoquinoline molecular structure lightbox
CAS RN: 1022091-49-1

5,7-Difluoro-6-bromoquinoline

Product Availability

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6 package records5 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 1g In stock Inquiry
Batchno.20260228 250mg In stock Inquiry
Batchno.20250310 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-003487
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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: 0.25g, 1g, 5g
  • 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 1022091-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1022091-49-1 / 6-bromo-5,7-difluoroquinoline

6-Bromo-5,7-difluoroquinoline | DTXSID60668261 | RefChem:307576

Standard CAS: 1022091-49-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1022091-49-1
Multi CAS
Yes
Molecular Formula
C9H4BrF2N
Molecular Weight
244.030000
Exact Mass
242.949520
SMILES
C1=CC2=C(C(=C(C=C2N=C1)F)Br)F
InChI
InChI=1S/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H
InChIKey
DUAWZZRBLJDTQC-UHFFFAOYSA-N
Synonyms
6-Bromo-5,7-difluoroquinoline DTXSID60668261 RefChem:307576 DTXCID00619010 682-933-9

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
49.36
TPSA
12.89

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.88

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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