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CAS 4703-22-4 1-[(4-methylphenyl)sulfonyl]piperidine molecular structure lightbox
CAS RN: 4703-22-4

1-[(4-methylphenyl)sulfonyl]piperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4703-22-4
  • Purity/Analytical Methods: >99.0%
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4703-22-4 / 1-(4-methylphenyl)sulfonylpiperidine

Standard CAS: 4703-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4703-22-4
Multi CAS
No
Molecular Formula
C12H17NO2S
Molecular Weight
239.340000
Exact Mass
239.098000
InChI
InChI=1S/C12H17NO2S/c1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKey
IGWGXOHABPCPHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.79
TPSA
37.38

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.64

Drug-likeness / Medicinal Chemistry

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

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