CAS RN: 1202463-82-8
5-Fluoro-7-nitroindole
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.20250913 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1202463-82-8
- Purity/Analytical Methods: >99.0%
1202463-82-8 / 5-fluoro-7-nitro-1H-indole
5-fluoro-7-nitro-1H-indole | 5-Fluoro-7-nitroindole | MFCD20923230
Basic Information
CAS
1202463-82-8
Multi CAS
No
Molecular Formula
C8H5FN2O2
Molecular Weight
180.140000
Exact Mass
180.033506
SMILES
C1=CNC2=C(C=C(C=C21)F)[N+](=O)[O-]
InChI
InChI=1S/C8H5FN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H
InChIKey
JBRVVXZFLROXOL-UHFFFAOYSA-N
Synonyms
5-fluoro-7-nitro-1H-indole
5-Fluoro-7-nitroindole
MFCD20923230
SCHEMBL1423220
JBRVVXZFLROXOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.91
TPSA
58.93
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.7
Consensus LogP
2.29
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
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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