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CAS 914458-31-4 (5-(3-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)Methanone molecular structure lightbox
CAS RN: 914458-31-4

(5-(3-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)Methanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS914458-31-4
  • Purity/Analytical Methods: >99.0%
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914458-31-4 / [5-(3-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone

Standard CAS: 914458-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914458-31-4
Multi CAS
No
Molecular Formula
C26FH24NO
Molecular Weight
385.500000
Exact Mass
385.184193
InChI
InChI=1S/C26H24FNO/c1-2-3-6-15-28-18-21(17-25(28)20-11-7-12-22(27)16-20)26(29)24-14-8-10-19-9-4-5-13-23(19)24/h4-5,7-14,16-18H,2-3,6,15H2,1H3
InChIKey
OCOICOMCAJNSCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
116.73
TPSA
22

LogP / Solubility

WLOGP
6.87
MLOGP
6.07
XLogP3
6.7
Consensus LogP
6.55
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
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)
-0.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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