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CAS 1427325-95-8 [1-(4-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone molecular structure lightbox
CAS RN: 1427325-95-8

[1-(4-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1427325-95-8
  • Purity/Analytical Methods: >99.0%
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1427325-95-8 / [1-(4-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone

Standard CAS: 1427325-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427325-95-8
Multi CAS
No
Molecular Formula
C24H22FNO
Molecular Weight
359.400000
Exact Mass
359.168542
SMILES
CC(CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)F
InChI
InChI=1S/C24H22FNO/c1-17(25)8-7-15-26-16-22(20-12-4-5-14-23(20)26)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17H,7-8,15H2,1H3
InChIKey
NFOQHRRYZIBSNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
109.12
TPSA
22

LogP / Solubility

WLOGP
6.16
MLOGP
5.44
XLogP3
6
Consensus LogP
5.87
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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