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CAS 90154-52-2 1-(3-bromopropanoyl)piperidine molecular structure lightbox
CAS RN: 90154-52-2

1-(3-bromopropanoyl)piperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90154-52-2
  • Purity/Analytical Methods: >99.0%
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90154-52-2 / 3-bromo-1-piperidin-1-ylpropan-1-one

Standard CAS: 90154-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90154-52-2
Multi CAS
No
Molecular Formula
BC8H14ORn
Molecular Weight
220.110000
Exact Mass
219.025880
InChI
InChI=1S/C8H14BrNO/c9-5-4-8(11)10-6-2-1-3-7-10/h1-7H2
InChIKey
QLCFKORONJMTNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.84
TPSA
20.31

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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