CAS RN: 1260386-34-2
4-nitro-1H-indazole-3-carbonitrile
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.20250716 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1260386-34-2
- Purity/Analytical Methods: >99.0%
1260386-34-2 / 4-nitro-1H-indazole-3-carbonitrile
Basic Information
CAS
1260386-34-2
Multi CAS
No
Molecular Formula
C8H4N4O2
Molecular Weight
188.140000
Exact Mass
188.033425
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=NN2)C#N
InChI
InChI=1S/C8H4N4O2/c9-4-6-8-5(10-11-6)2-1-3-7(8)12(13)14/h1-3H,(H,10,11)
InChIKey
HZHFZCRAUODOEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.46
TPSA
95.61
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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