CAS RN: 2349394-48-3
Quinoline, 7-bromo-4,6-dichloro-8-fluoro-3-nitro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-113373
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2349394-48-3 / 7-bromo-4,6-dichloro-8-fluoro-3-nitroquinoline
Basic Information
CAS
2349394-48-3
Multi CAS
No
Molecular Formula
C9H2BrCl2FN2O2
Molecular Weight
339.930000
Exact Mass
337.866070
SMILES
C1=C2C(=C(C(=C1Cl)Br)F)N=CC(=C2Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H2BrCl2FN2O2/c10-6-4(11)1-3-7(12)5(15(16)17)2-14-9(3)8(6)13/h1-2H
InChIKey
QSYNBTOEZUZLCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.08
TPSA
56.03
LogP / Solubility
WLOGP
4.35
MLOGP
3.85
XLogP3
4.1
Consensus LogP
4.1
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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