CAS RN: 1167056-12-3
4-Fluoro-7-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.20260628 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-016648
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1167056-12-3 / 4-fluoro-7-nitro-2,3-dihydro-1H-indole
4-fluoro-7-nitro-2,3-dihydro-1H-indole | 4-Fluoro-7-nitroindoline | 4-fluoro-7-nitro-indoline
Basic Information
CAS
1167056-12-3
Multi CAS
No
Molecular Formula
C8H7FN2O2
Molecular Weight
182.150000
Exact Mass
182.049156
SMILES
C1CNC2=C(C=CC(=C21)F)[N+](=O)[O-]
InChI
InChI=1S/C8H7FN2O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-2,10H,3-4H2
InChIKey
PAVIDRYITUVQFL-UHFFFAOYSA-N
Synonyms
4-fluoro-7-nitro-2,3-dihydro-1H-indole
4-Fluoro-7-nitroindoline
4-fluoro-7-nitro-indoline
1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-
MFCD12405174
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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