CAS RN: 1908414-82-3
LMPTP inhibitor1
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.20251027 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1908414-82-3
- Purity/Analytical Methods: >99.0%
1908414-82-3 / N,N-diethyl-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
Basic Information
CAS
1908414-82-3
Multi CAS
No
Molecular Formula
C28H36N4O
Molecular Weight
444.600000
Exact Mass
444.288912
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCN4CCCCC4
InChI
InChI=1S/C28H36N4O/c1-3-32(4-2)28(33)23-15-13-22(14-16-23)26-21-27(24-11-6-7-12-25(24)30-26)29-17-10-20-31-18-8-5-9-19-31/h6-7,11-16,21H,3-5,8-10,17-20H2,1-2H3,(H,29,30)
InChIKey
XISMYRQHGUUMGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
137.83
TPSA
48.47
LogP / Solubility
WLOGP
5.67
MLOGP
5.02
XLogP3
5.3
Consensus LogP
5.33
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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