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CAS 1204810-93-4 3-Bromo-4-chloro-6-fluoroquinoline molecular structure lightbox
CAS RN: 1204810-93-4

3-Bromo-4-chloro-6-fluoroquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021505
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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 1204810-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1204810-93-4 / 3-bromo-4-chloro-6-fluoroquinoline

3-Bromo-4-chloro-6-fluoroquinoline | DTXSID50671168 | RefChem:93154

Standard CAS: 1204810-93-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204810-93-4
Multi CAS
No
Molecular Formula
C9H4BrClFN
Molecular Weight
260.490000
Exact Mass
258.919970
SMILES
C1=CC2=NC=C(C(=C2C=C1F)Cl)Br
InChI
InChI=1S/C9H4BrClFN/c10-7-4-13-8-2-1-5(12)3-6(8)9(7)11/h1-4H
InChIKey
NYHQVBUXWYXYLI-UHFFFAOYSA-N
Synonyms
3-Bromo-4-chloro-6-fluoroquinoline DTXSID50671168 RefChem:93154 DTXCID60621917 802-576-6

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.41
TPSA
12.89

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.6
Consensus LogP
3.58
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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 (97.4%): 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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