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CAS 159730-09-3 2-(7-FLUORO-1H-INDOL-3-YL)-ETHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 159730-09-3

2-(7-FLUORO-1H-INDOL-3-YL)-ETHYLAMINE HYDROCHLORIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 10mg In stock Inquiry
Batchno.20250113 250mg In stock Inquiry
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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS159730-09-3
  • Purity/Analytical Methods: >99.0%
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159730-09-3 / 2-(7-fluoro-1H-indol-3-yl)ethanamine;hydrochloride

Standard CAS: 159730-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159730-09-3
Multi CAS
No
Molecular Formula
C10H12ClFN2
Molecular Weight
214.670000
Exact Mass
214.067304
SMILES
C1=CC2=C(C(=C1)F)NC=C2CCN.Cl
InChI
InChI=1S/C10H11FN2.ClH/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9;/h1-3,6,13H,4-5,12H2;1H
InChIKey
JWAZOMQARDNFMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.26
TPSA
41.81

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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