![CAS 913534-05-1 N-Cyclohexyl-7-chloro-1-[2-(4-morpholinyl)ethyl]quinolin-4(1H)-one-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913534-05-1.gif)
CAS RN: 913534-05-1
N-Cyclohexyl-7-chloro-1-[2-(4-morpholinyl)ethyl]quinolin-4(1H)-one-3-carboxamide
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260424 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251219 | 1g | Out of stock | Inquiry | |
| Batchno.20250216 | 250mg | Out of stock | Inquiry | |
| Batchno.20260603 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251030 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS913534-05-1
- Purity/Analytical Methods: >99.0%
913534-05-1 / 7-chloro-N-cyclohexyl-1-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
Basic Information
CAS
913534-05-1
Multi CAS
No
Molecular Formula
C22H28CLN3O3
Molecular Weight
417.900000
Exact Mass
417.181920
InChI
InChI=1S/C22H28ClN3O3/c23-16-6-7-18-20(14-16)26(9-8-25-10-12-29-13-11-25)15-19(21(18)27)22(28)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,24,28)
InChIKey
MFKWLGOHFQBVAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.82
TPSA
63.57
LogP / Solubility
WLOGP
3.05
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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