CAS RN: 1378259-42-7
2-BroMo-6-nitroquinoline
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.20260106 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1378259-42-7
- Purity/Analytical Methods: >99.0%
1378259-42-7 / 2-bromo-6-nitroquinoline
Basic Information
CAS
1378259-42-7
Multi CAS
No
Molecular Formula
C9H5BrN2O2
Molecular Weight
253.050000
Exact Mass
251.953440
SMILES
C1=CC2=C(C=CC(=N2)Br)C=C1[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O2/c10-9-4-1-6-5-7(12(13)14)2-3-8(6)11-9/h1-5H
InChIKey
HQJTYNNFNUQDHN-UHFFFAOYSA-N
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
2.9
Consensus LogP
2.79
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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