CAS RN: 884497-63-6
CHEMBRDG-BB 6613830
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.20250418 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS884497-63-6
- Purity/Analytical Methods: >99.0%
884497-63-6 / 8-hydroxy-5-nitroquinoline-2-carbaldehyde
Basic Information
CAS
884497-63-6
Multi CAS
No
Molecular Formula
C10H6N2O4
Molecular Weight
218.170000
Exact Mass
218.032757
InChI
InChI=1S/C10H6N2O4/c13-5-6-1-2-7-8(12(15)16)3-4-9(14)10(7)11-6/h1-5,14H
InChIKey
UPHRIPALSZTGGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.45
TPSA
93.33
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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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