CAS RN: 142720-24-9

FGIN-1-27

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3 package records1 with current stock2 grade groups
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Batchno.20260410 25mg Out of stock Inquiry
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Batchno.20250621 10mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS142720-24-9
  • Purity/Analytical Methods: >99.0%
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142720-24-9 / 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide

Standard CAS: 142720-24-9 Multi CAS: No

Basic Information

CAS
142720-24-9
Multi CAS
No
Molecular Formula
C28H37FN2O
Molecular Weight
436.600000
Exact Mass
436.288992
SMILES
CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
InChIKey
VUWXAQFLTSBUDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.46
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
132.26
TPSA
36.1

LogP / Solubility

WLOGP
7.51
MLOGP
6.63
XLogP3
7.9
Consensus LogP
7.35
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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