CAS RN: 1026437-82-0
3-bromo-2-chloro-7-nitroquinoline(WX130292)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260622 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260505 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry | |
| Batchno.20250519 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250307 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260220 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1026437-82-0
- Purity/Analytical Methods: >99.0%
1026437-82-0 / 3-bromo-2-chloro-7-nitroquinoline
3-bromo-2-chloro-7-nitroquinoline | MFCD18906541 | 3-bromo-2-chloro-7-nitro-quinoline
Basic Information
CAS
1026437-82-0
Multi CAS
No
Molecular Formula
C9H4BrClN2O2
Molecular Weight
287.500000
Exact Mass
285.914470
SMILES
C1=CC(=CC2=NC(=C(C=C21)Br)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H4BrClN2O2/c10-7-3-5-1-2-6(13(14)15)4-8(5)12-9(7)11/h1-4H
InChIKey
AAMUURCEDXGFGI-UHFFFAOYSA-N
Synonyms
3-bromo-2-chloro-7-nitroquinoline
MFCD18906541
3-bromo-2-chloro-7-nitro-quinoline
AKOS037645572
AS-61538
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
3.7
Consensus LogP
3.47
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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