![CAS 892242-64-7 4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892242-64-7.gif)
CAS RN: 892242-64-7
4-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoicacid
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.20260213 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS892242-64-7
- Purity/Analytical Methods: >99.0%
892242-64-7 / 4-[[12-(4-cyclohexylpiperazin-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid
Basic Information
CAS
892242-64-7
Multi CAS
No
Molecular Formula
C31H30N4O4
Molecular Weight
522.600000
Exact Mass
522.226705
InChI
InChI=1S/C31H30N4O4/c36-29-22-8-4-5-9-23(22)30-27-26(29)24(32-20-12-10-19(11-13-20)31(37)38)18-25(28(27)33-39-30)35-16-14-34(15-17-35)21-6-2-1-3-7-21/h4-5,8-13,18,21,32H,1-3,6-7,14-17H2,(H,37,38)
InChIKey
MMUWXZUTOXDAGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
150.22
TPSA
98.91
LogP / Solubility
WLOGP
5.94
MLOGP
5.26
XLogP3
4
Consensus LogP
5.07
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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