CAS RN: 1315365-92-4
7-Chloro-1,2,3,4-tetrahydroquinolin-4-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.20251117 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1315365-92-4
- Purity/Analytical Methods: >99.0%
1315365-92-4 / 7-chloro-1,2,3,4-tetrahydroquinolin-4-amine
Basic Information
CAS
1315365-92-4
Multi CAS
No
Molecular Formula
C9H11ClN2
Molecular Weight
182.650000
Exact Mass
182.061076
SMILES
C1CNC2=C(C1N)C=CC(=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2
InChIKey
XGIXGPYARXCPKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.49
TPSA
38.05
LogP / Solubility
WLOGP
2.16
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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