CAS RN: 492456-52-7
3-Quinolinecarbonitrile, 4-hydroxy-7-Methoxy-6-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.20250930 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS492456-52-7
- Purity/Analytical Methods: >99.0%
492456-52-7 / 7-methoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
Basic Information
CAS
492456-52-7
Multi CAS
No
Molecular Formula
C11H7N3O4
Molecular Weight
245.190000
Exact Mass
245.043656
InChI
InChI=1S/C11H7N3O4/c1-18-10-3-8-7(2-9(10)14(16)17)11(15)6(4-12)5-13-8/h2-3,5H,1H3,(H,13,15)
InChIKey
KTZRTSATHWBRBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.49
TPSA
109.02
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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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