CAS RN: 784-98-5
ethyl 3-(o-nitrophenyl)pyruvate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS784-98-5
- Purity/Analytical Methods: >99.0%
784-98-5 / ethyl 3-(2-nitrophenyl)-2-oxopropanoate
Basic Information
CAS
784-98-5
Multi CAS
Yes
Molecular Formula
C11H11NO5
Molecular Weight
237.210000
Exact Mass
237.063722
InChI
InChI=1S/C11H11NO5/c1-2-17-11(14)10(13)7-8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
InChIKey
AKWXORMMOJRIBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
58.44
TPSA
86.51
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.8
Consensus LogP
1.4
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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