CAS RN: 59500-67-3
6-Nitro-2-quinolinecarbaldehyde
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.20250615 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59500-67-3
- Purity/Analytical Methods: >99.0%
59500-67-3 / 6-nitroquinoline-2-carbaldehyde
Basic Information
CAS
59500-67-3
Multi CAS
No
Molecular Formula
C10H6N2O3
Molecular Weight
202.170000
Exact Mass
202.037842
InChI
InChI=1S/C10H6N2O3/c13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8/h1-6H
InChIKey
BOUDHYSDNNTOQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.78
TPSA
73.1
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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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