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CAS 75067-66-2 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate molecular structure lightbox
CAS RN: 75067-66-2

4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 15mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS75067-66-2
  • Purity/Analytical Methods: >99.0%
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75067-66-2 / [4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate

Standard CAS: 75067-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75067-66-2
Multi CAS
No
Molecular Formula
BC31H41NO3Rf
Molecular Weight
574.600000
Exact Mass
573.225380
InChI
InChI=1S/C31H41BrFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3
InChIKey
ZINCPWWBSRSXBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
150.16
TPSA
46.61

LogP / Solubility

WLOGP
8.23
MLOGP
7.28
XLogP3
7.9
Consensus LogP
7.8
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-10.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.38

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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