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CAS 101768-14-3 Toluene-4-sulfonic acid 1-benzyl-piperidin-4-yl ester molecular structure lightbox
CAS RN: 101768-14-3

Toluene-4-sulfonic acid 1-benzyl-piperidin-4-yl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002751
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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: 1g
  • 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 101768-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101768-14-3 / (1-benzylpiperidin-4-yl) 4-methylbenzenesulfonate

Toluene-4-sulfonic acid 1-benzyl-piperidin-4-yl ester | 1-Benzylpiperidin-4-yl 4-methylbenzenesulfonate | (1-benzyl-4-Piperidyl) 4-methylbenzenesulfonate

Standard CAS: 101768-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101768-14-3
Multi CAS
No
Molecular Formula
C19H23NO3S
Molecular Weight
345.500000
Exact Mass
345.139865
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO3S/c1-16-7-9-19(10-8-16)24(21,22)23-18-11-13-20(14-12-18)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKey
PZKDDWLNFPJDCG-UHFFFAOYSA-N
Synonyms
Toluene-4-sulfonic acid 1-benzyl-piperidin-4-yl ester 1-Benzylpiperidin-4-yl 4-methylbenzenesulfonate (1-benzyl-4-Piperidyl) 4-methylbenzenesulfonate MFCD21097857 (1-benzylpiperidin-4-yl) 4-methylbenzenesulfonate

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
94.19
TPSA
46.61

LogP / Solubility

WLOGP
3.36
MLOGP
2.98
XLogP3
3.7
Consensus LogP
3.35
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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
2.5

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