CAS RN: 855778-84-6
3-(piperidin-4-yl)quinolin-2(1h)-one hydrochloride
- Product code: SSC-194024
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
855778-84-6 / 3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride
Basic Information
CAS
855778-84-6
Multi CAS
Yes
Molecular Formula
C14H17CLN2O
Molecular Weight
264.750000
Exact Mass
264.102941
InChI
InChI=1S/C14H16N2O.ClH/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14;/h1-4,9-10,15H,5-8H2,(H,16,17);1H
InChIKey
BAPAUBKDZOEWJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.66
TPSA
44.89
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.42
Consensus LogP
2.32
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.62
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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