CAS RN: 323196-70-9
2-CHLORO-7,8-DIMETHYL-3-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.20250703 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS323196-70-9
- Purity/Analytical Methods: >99.0%
323196-70-9 / 2-chloro-7,8-dimethylquinoline-3-carbaldehyde
Basic Information
CAS
323196-70-9
Multi CAS
No
Molecular Formula
C12H10CLNO
Molecular Weight
219.660000
Exact Mass
219.045092
InChI
InChI=1S/C12H10ClNO/c1-7-3-4-9-5-10(6-15)12(13)14-11(9)8(7)2/h3-6H,1-2H3
InChIKey
ISBVEHFRQCFGCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.61
TPSA
29.96
LogP / Solubility
WLOGP
3.32
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.7
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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