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CAS 223488-57-1 2-[3-[N-(4-tert-Butylbenzyl)-N-(pyridin-3-ylsulfonyl)aminomethyl]phenoxy]acetic acid molecular structure lightbox
CAS RN: 223488-57-1

2-[3-[N-(4-tert-Butylbenzyl)-N-(pyridin-3-ylsulfonyl)aminomethyl]phenoxy]acetic acid

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 1mg / 5mg / 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 100mg In stock Shanghai Inquiry
Batchno.20260310 10mg In stock Shanghai Inquiry
Batchno.20251025 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250528 250mg In stock Shanghai Inquiry
Batchno.20260228 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20250714 50mg In stock Shanghai Inquiry
Batchno.20250802 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-108972
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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 223488-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

223488-57-1 / 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid

Standard CAS: 223488-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223488-57-1
Multi CAS
No
Molecular Formula
C25H28N2O5S
Molecular Weight
468.600000
Exact Mass
468.171893
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3
InChI
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
InChIKey
WOHRHWDYFNWPNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.38
TPSA
96.8

LogP / Solubility

WLOGP
4.23
MLOGP
3.76
XLogP3
4.2
Consensus LogP
4.06
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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