CAS RN: 1820711-83-8
7-Fluoroindoline hydrochloride
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.20251027 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1820711-83-8
- Purity/Analytical Methods: >99.0%
1820711-83-8 / 7-fluoro-2,3-dihydro-1H-indole;hydrochloride
Basic Information
CAS
1820711-83-8
Multi CAS
No
Molecular Formula
C8H9ClFN
Molecular Weight
173.610000
Exact Mass
173.040755
SMILES
C1CNC2=C1C=CC=C2F.Cl
InChI
InChI=1S/C8H8FN.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-3,10H,4-5H2;1H
InChIKey
JTDIKWUTNZYHMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.84
TPSA
12.03
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.22
Consensus LogP
2.13
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.21
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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