CAS RN: 22934-45-8
6-CHLOROQUINOLINE-8-CARBALDEHYDE
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.20260207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22934-45-8
- Purity/Analytical Methods: >99.0%
22934-45-8 / 6-chloroquinoline-8-carbaldehyde
Basic Information
CAS
22934-45-8
Multi CAS
No
Molecular Formula
C10H6ClNO
Molecular Weight
191.610000
Exact Mass
191.013792
SMILES
C1=CC2=CC(=CC(=C2N=C1)C=O)Cl
InChI
InChI=1S/C10H6ClNO/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13/h1-6H
InChIKey
ZSFSBYVHCVFWQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.14
TPSA
29.96
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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