CAS RN: 51818-98-5
N-(4-Formyl-2-nitrophenyl)acetamide
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.20260101 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51818-98-5
- Purity/Analytical Methods: >99.0%
51818-98-5 / N-(4-formyl-2-nitrophenyl)acetamide
Basic Information
CAS
51818-98-5
Multi CAS
Yes
Molecular Formula
C9H8N2O4
Molecular Weight
208.170000
Exact Mass
208.048407
InChI
InChI=1S/C9H8N2O4/c1-6(13)10-8-3-2-7(5-12)4-9(8)11(14)15/h2-5H,1H3,(H,10,13)
InChIKey
CNCOWQRMRJIFOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.79
TPSA
89.31
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
0.6
Consensus LogP
1.06
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.02
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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