CAS RN: 915020-55-2
BGT226
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.20260522 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS915020-55-2
- Purity/Analytical Methods: >99.0%
915020-55-2 / 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
Basic Information
CAS
915020-55-2
Multi CAS
Yes
Molecular Formula
C28F3H25N6O2
Molecular Weight
534.500000
Exact Mass
534.199109
InChI
InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
InChIKey
BMMXYEBLEBULND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
25
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
143.68
TPSA
77.21
LogP / Solubility
WLOGP
4.38
MLOGP
3.89
XLogP3
4
Consensus LogP
4.09
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 915038-16-3 R-4-oxide-2,6-bis(4-chlorophenyl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915038-16-3.gif)