CAS RN: 1860028-18-7
6‐fluoro‐5‐nitro‐2,3‐dihydro‐1H‐indole
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.20260419 | 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1860028-18-7
- Purity/Analytical Methods: >99.0%
1860028-18-7 / 6-fluoro-5-nitro-2,3-dihydro-1H-indole
Basic Information
CAS
1860028-18-7
Multi CAS
No
Molecular Formula
C8H7FN2O2
Molecular Weight
182.150000
Exact Mass
182.049156
SMILES
C1CNC2=CC(=C(C=C21)[N+](=O)[O-])F
InChI
InChI=1S/C8H7FN2O2/c9-6-4-7-5(1-2-10-7)3-8(6)11(12)13/h3-4,10H,1-2H2
InChIKey
JDSAQRIJNJOSPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.25
TPSA
55.17
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
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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