CAS RN: 2310135-46-5
LMPTP INHIBITOR 1 dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2310135-46-5
- Purity/Analytical Methods: >99.0%
2310135-46-5 / N,N-diethyl-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide;dihydrochloride
Basic Information
CAS
2310135-46-5
Multi CAS
No
Molecular Formula
C28H38Cl2N4O
Molecular Weight
517.500000
Exact Mass
516.242267
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCN4CCCCC4.Cl.Cl
InChI
InChI=1S/C28H36N4O.2ClH/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);2*1H
InChIKey
YDTJMPCNLMSGEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
152.32
TPSA
48.47
LogP / Solubility
WLOGP
6.52
MLOGP
5.77
XLogP3
6.52
Consensus LogP
6.27
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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