CAS RN: 1846570-40-8
7-(3-(pyrrolidin-1-yl)propoxy)-6-methoxy-2-(5-methylfuran-2-yl)-N-((1-methylpiperidin-4-yl)methyl)quinolin-4-amine
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.20250509 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1846570-40-8
- Purity/Analytical Methods: >99.0%
1846570-40-8 / 6-methoxy-2-(5-methylfuran-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
Basic Information
CAS
1846570-40-8
Multi CAS
No
Molecular Formula
C29H40N4O3
Molecular Weight
492.700000
Exact Mass
492.310041
SMILES
CC1=CC=C(O1)C2=NC3=CC(=C(C=C3C(=C2)NCC4CCN(CC4)C)OC)OCCCN5CCCC5
InChI
InChI=1S/C29H40N4O3/c1-21-7-8-27(36-21)26-18-24(30-20-22-9-14-32(2)15-10-22)23-17-28(34-3)29(19-25(23)31-26)35-16-6-13-33-11-4-5-12-33/h7-8,17-19,22H,4-6,9-16,20H2,1-3H3,(H,30,31)
InChIKey
VMMRDFLDWHFNOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
145.23
TPSA
63
LogP / Solubility
WLOGP
5.43
MLOGP
4.81
XLogP3
4.9
Consensus LogP
5.05
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
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
Yes
Log Kp (skin permeation)
-1.87
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
5
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