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CAS 146827-60-3 benzyl 4-(acetylthio)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 146827-60-3

benzyl 4-(acetylthio)piperidine-1-carboxylate

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 100mg Out of stock Inquiry
Batchno.20250510 250mg Out of stock Inquiry
  • Product code: SSC-057742
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 146827-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

146827-60-3 / benzyl 4-acetylsulfanylpiperidine-1-carboxylate

Standard CAS: 146827-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146827-60-3
Multi CAS
No
Molecular Formula
C15H19NO3S
Molecular Weight
293.400000
Exact Mass
293.108565
SMILES
CC(=O)SC1CCN(CC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3S/c1-12(17)20-14-7-9-16(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKey
JWYKWBXEAKBIJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
79.49
TPSA
46.61

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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