CAS RN: 116176-92-2
1H-Indole,5-fluoro-1-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS116176-92-2
- Purity/Analytical Methods: >99.0%
116176-92-2 / 5-fluoro-1-methylindole
5-fluoro-1-methylindole | DTXSID10406453 | RefChem:303095
Basic Information
CAS
116176-92-2
Multi CAS
No
Molecular Formula
C9H8FN
Molecular Weight
149.160000
Exact Mass
149.064077
SMILES
CN1C=CC2=C1C=CC(=C2)F
InChI
InChI=1S/C9H8FN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChIKey
RDZSNJCMRDNQNB-UHFFFAOYSA-N
Synonyms
5-fluoro-1-methylindole
DTXSID10406453
RefChem:303095
DTXCID60357305
5-fluoro-1-methyl-1H-indole
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
42.88
TPSA
4.93
LogP / Solubility
WLOGP
2.32
MLOGP
2.03
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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