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CAS 834-66-2 1-(4-BROMOPHENYLSULFONYL)PIPERIDINE molecular structure lightbox
CAS RN: 834-66-2

1-(4-BROMOPHENYLSULFONYL)PIPERIDINE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250506 1g In stock Inquiry
Batchno.20260409 250mg In stock Inquiry
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  • Product code: starshine_CAS834-66-2
  • Purity/Analytical Methods: >99.0%
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834-66-2 / 1-(4-bromophenyl)sulfonylpiperidine

Standard CAS: 834-66-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
834-66-2
Multi CAS
Yes
Molecular Formula
BC11H14O2RnS
Molecular Weight
304.210000
Exact Mass
302.992860
InChI
InChI=1S/C11H14BrNO2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKey
AVWJTUSLSQWCFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
66.75
TPSA
37.38

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

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