CAS RN: 1227499-38-8
5-chloro-7-fluoro-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.20260615 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227499-38-8
- Purity/Analytical Methods: >99.0%
1227499-38-8 / 5-chloro-7-fluoro-1H-indole
Basic Information
CAS
1227499-38-8
Multi CAS
No
Molecular Formula
C8H5ClFN
Molecular Weight
169.580000
Exact Mass
169.009455
SMILES
C1=CNC2=C(C=C(C=C21)Cl)F
InChI
InChI=1S/C8H5ClFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
ALVWLRRLYMWPAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.27
TPSA
15.79
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
2.8
Consensus LogP
2.79
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-1.65
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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