CAS RN: 128200-32-8
5-nitro-1H-indole-3-carboxaMide
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.20260118 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS128200-32-8
- Purity/Analytical Methods: >99.0%
128200-32-8 / 5-nitro-1H-indole-3-carboxamide
Basic Information
CAS
128200-32-8
Multi CAS
No
Molecular Formula
C9H7N3O3
Molecular Weight
205.170000
Exact Mass
205.048741
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)N
InChI
InChI=1S/C9H7N3O3/c10-9(13)7-4-11-8-2-1-5(12(14)15)3-6(7)8/h1-4,11H,(H2,10,13)
InChIKey
KQXIVONHGWKTQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.47
TPSA
102.02
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.14
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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