CAS RN: 1414786-90-5
2,4-Dichloroquinolin-3-aMine
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.20260328 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1414786-90-5
- Purity/Analytical Methods: >99.0%
1414786-90-5 / 2,4-dichloroquinolin-3-amine
Basic Information
CAS
1414786-90-5
Multi CAS
No
Molecular Formula
C9H6Cl2N2
Molecular Weight
213.060000
Exact Mass
211.990804
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)N)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-7-5-3-1-2-4-6(5)13-9(11)8(7)12/h1-4H,12H2
InChIKey
HTKUTHCPGCVCMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.18
TPSA
38.91
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.1
Consensus LogP
2.99
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-1.8
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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