![CAS 478341-55-8 N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-1-pentanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478341-55-8.gif)
CAS RN: 478341-55-8
N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-1-pentanamine hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS478341-55-8
- Purity/Analytical Methods: >99.0%
478341-55-8 / 1-benzyl-N-pentylquinolin-4-imine;hydrochloride
Basic Information
CAS
478341-55-8
Multi CAS
Yes
Molecular Formula
C21H25CLN2
Molecular Weight
340.900000
Exact Mass
340.170627
InChI
InChI=1S/C21H24N2.ClH/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21;/h4-8,10-14,16H,2-3,9,15,17H2,1H3;1H
InChIKey
JIRISCAPZWLWCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.69
TPSA
17.29
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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