CAS RN: 380560-89-4
5-(4-BroMophenyl)-3-(1,2-dihydro-6-Methyl-2-oxo-4-phenyl-3-quinolinyl)-4,5-dihydro-γ-oxo-1H-Pyrazole-1-butanoic Acid
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS380560-89-4
- Purity/Analytical Methods: >99.0%
380560-89-4 / 4-[3-(4-bromophenyl)-5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Basic Information
CAS
380560-89-4
Multi CAS
Yes
Molecular Formula
BC29H24O4Rn3
Molecular Weight
558.400000
Exact Mass
557.095020
InChI
InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
InChIKey
MVYNQMRZRULRIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
146.49
TPSA
102.83
LogP / Solubility
WLOGP
5.81
MLOGP
5.15
XLogP3
4
Consensus LogP
4.99
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 380574-48-1 3-(3,4-DICHLORO-BENZYLIDENE)-2,3-DIHYDRO-1H-CYCLOPENTA[B]QUINOLINE-9-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1448829(1).gif)
