CAS RN: 885521-06-2
1H-Indole, 6-fluoro-4-Methyl-
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.20250712 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885521-06-2
- Purity/Analytical Methods: >99.0%
885521-06-2 / 6-fluoro-4-methyl-1H-indole
Basic Information
CAS
885521-06-2
Multi CAS
No
Molecular Formula
C9FH8N
Molecular Weight
149.160000
Exact Mass
149.064077
InChI
InChI=1S/C9H8FN/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,1H3
InChIKey
FBQSMVHWHHQNAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.99
TPSA
15.79
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-1.77
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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