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CAS 1523572-05-5 [1-(4-methylbenzenesulfonyl)-4-{[(4-methylbenzenesulfonyl)oxy]methyl}piperidin-4-yl]methyl 4-methylbenzene-1-sulfonate molecular structure lightbox
CAS RN: 1523572-05-5

[1-(4-methylbenzenesulfonyl)-4-{[(4-methylbenzenesulfonyl)oxy]methyl}piperidin-4-yl]methyl 4-methylbenzene-1-sulfonate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062180
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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 1523572-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1523572-05-5 / [1-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonyloxymethyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate

Standard CAS: 1523572-05-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1523572-05-5
Multi CAS
No
Molecular Formula
C28H33NO8S3
Molecular Weight
607.800000
Exact Mass
607.136831
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H33NO8S3/c1-22-4-10-25(11-5-22)38(30,31)29-18-16-28(17-19-29,20-36-39(32,33)26-12-6-23(2)7-13-26)21-37-40(34,35)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3
InChIKey
WOWYUWRCXZYUAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
150.24
TPSA
124.12

LogP / Solubility

WLOGP
4.19
MLOGP
3.74
XLogP3
4.7
Consensus LogP
4.21
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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