CAS RN: 1268816-57-4
7-Fluoro-5-Nitroindoline
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.20260420 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1268816-57-4
- Purity/Analytical Methods: >99.0%
1268816-57-4 / 7-fluoro-5-nitro-2,3-dihydro-1H-indole
Basic Information
CAS
1268816-57-4
Multi CAS
No
Molecular Formula
C8H7FN2O2
Molecular Weight
182.150000
Exact Mass
182.049156
SMILES
C1CNC2=C1C=C(C=C2F)[N+](=O)[O-]
InChI
InChI=1S/C8H7FN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h3-4,10H,1-2H2
InChIKey
HRSVTAASZBEJPK-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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