CAS RN: 1609389-52-7
N-(2-amino-5-(thiophen-2-yl)phenyl)-2-(piperazin-1-yl)quinoline-6-carboxamide
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 100mg | Out of stock | Inquiry | |
| Batchno.20251112 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250411 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260304 | 250mg | Out of stock | Inquiry | |
| Batchno.20260111 | 25mg | Out of stock | Inquiry | |
| Batchno.20250725 | 50mg | Out of stock | Inquiry | |
| Batchno.20250718 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1609389-52-7
- Purity/Analytical Methods: >99.0%
1609389-52-7 / N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-ylquinoline-6-carboxamide
Basic Information
CAS
1609389-52-7
Multi CAS
No
Molecular Formula
C24H23N5OS
Molecular Weight
429.500000
Exact Mass
429.162332
SMILES
C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N
InChI
InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)
InChIKey
VURDNNVAYZDGDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
128.95
TPSA
83.28
LogP / Solubility
WLOGP
4.21
MLOGP
3.73
XLogP3
3.5
Consensus LogP
3.81
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
BMS-986165
- CAS RN: 1609392-27-9
- Product Code: starshine_CAS1609392-27-9
- Purity/Analytical method: >99.0%
-
3-Pyridanzinecarboxamide,4,6-dichloro-N-(methyl-d3)
- CAS RN: 1609393-89-6
- Product Code: SSC-068662
-
2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
- CAS RN: 1609393-90-9
- Product Code: SSC-068663
-
3-(2-methoxy-3-nitrophenyl)-1H-1,2,4-triazole
- CAS RN: 1609394-05-9
- Product Code: SSC-068664
-
3-(2-methoxy-3-nitrophenyl)-1-methyl-1H-1,2,4-triazole
- CAS RN: 1609394-08-2
- Product Code: SSC-068665
-
2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
- CAS RN: 1609394-10-6
- Product Code: SSC-068666
![CAS 1609393-90-9 2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1609393-90-9.gif)
