CAS RN: 1333252-74-6
7-Fluoro-4-(piperazin-1-yl)quinoline Hydrochloride
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.20260106 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-040012
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1333252-74-6 / 7-fluoro-4-piperazin-1-ylquinoline;hydrochloride
Basic Information
CAS
1333252-74-6
Multi CAS
No
Molecular Formula
C13H15ClFN3
Molecular Weight
267.730000
Exact Mass
267.093853
SMILES
C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2)F.Cl
InChI
InChI=1S/C13H14FN3.ClH/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17;/h1-4,9,15H,5-8H2;1H
InChIKey
ZBBUDLMCELSBTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.03
TPSA
28.16
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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