CAS RN: 123134-61-2
1-(2-Aminophenyl)-3-(3-nitrophenyl)-2-propen-1-one
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 1g | Out of stock | Inquiry | |
| Batchno.20250625 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250620 | 250mg | Out of stock | Inquiry | |
| Batchno.20260517 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251017 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250410 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS123134-61-2
- Purity/Analytical Methods: >99.0%
123134-61-2 / (E)-1-(2-aminophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Basic Information
CAS
123134-61-2
Multi CAS
No
Molecular Formula
C15H12N2O3
Molecular Weight
268.270000
Exact Mass
268.084792
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])N
InChI
InChI=1S/C15H12N2O3/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)17(19)20/h1-10H,16H2/b9-8+
InChIKey
LRMPAVQDWGDIBD-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.32
TPSA
86.23
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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