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C25H22N6O4S2 structure
Fine Chemical

C25H22N6O4S2

TL;DR: C25H22N6O4S2 (CAS 1004444-26-1) is a chemical compound with molecular formula C25H22N6O4S2 and molecular weight 534.1144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate

Also Known As: butyl 4-((3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)quinoxalin-2-yl)amino)benzoate, butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate, C25H22N6O4S2

CAS Number
1004444-26-1
Molecular Formula
C25H22N6O4S2
Molecular Weight
534.1144 g/mol
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Technical Specifications

Molecular FormulaC25H22N6O4S2
Molecular Weight534.1144 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)173.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors11
Rotatable Bonds10
Exact Mass534.1144 Da
Heavy Atoms37
Complexity866.0
SMILESCCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54
InChIKeyTXMCIDPKHFDBFS-UHFFFAOYSA-N

Product Description

Applications: C25H22N6O4S2 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C25H22N6O4S2 (CAS 1004444-26-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

C25H22N6O4S2 (CAS 1004444-26-1) is a fine chemical with the molecular formula C25H22N6O4S2 and a molecular weight of 534.11 g/mol. It is also known as butyl 4-((3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)quinoxalin-2-yl)amino)benzoate and butyl 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of C25H22N6O4S2

XLogP
4.9
TPSA (Topological Polar Surface Area)
173.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
11
Rotatable Bonds
10
Heavy Atoms
37
Complexity
866.0
Exact Mass
534.1144
Monoisotopic Mass
534.1144
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of C25H22N6O4S2

The XLogP value of 4.9 indicates that C25H22N6O4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting C25H22N6O4S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C25H22N6O4S2 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of C25H22N6O4S2?

The CAS number of C25H22N6O4S2 is 1004444-26-1.

What is the molecular formula of C25H22N6O4S2?

The molecular formula of C25H22N6O4S2 is C25H22N6O4S2.

What is the molecular weight of C25H22N6O4S2?

The molecular weight of C25H22N6O4S2 is 534.1144 g/mol.

What are the applications of C25H22N6O4S2?

C25H22N6O4S2 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C25H22N6O4S2 (CAS 1004444-26-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...

Where can I buy C25H22N6O4S2?

You can request a quote for C25H22N6O4S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for C25H22N6O4S2?

Yes, CoreyChem provides custom synthesis services for C25H22N6O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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