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1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine structure
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1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine

TL;DR: 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine (CAS 439939-63-6) is a chemical compound with molecular formula C20H25ClN2O5S and molecular weight 440.11728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

Also Known As: 1-[(4-chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine, 1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

CAS Number
439939-63-6
Molecular Formula
C20H25ClN2O5S
Molecular Weight
440.11728 g/mol
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Technical Specifications

Molecular FormulaC20H25ClN2O5S
Molecular Weight440.11728 g/mol
XLogP2.9
Topological Polar Surface Area (TPSA)76.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass440.11728 Da
Heavy Atoms29
Complexity600.0
SMILESCOC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC
InChIKeyWSJGUTMTCHFBRO-UHFFFAOYSA-N

Chemical Property Profile of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine

XLogP
2.9
TPSA (Topological Polar Surface Area)
76.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
29
Complexity
600.0
Exact Mass
440.11728
Monoisotopic Mass
440.11728
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 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine

The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine?

The CAS number of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine is 439939-63-6.

What is the molecular formula of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine?

The molecular formula of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine is C20H25ClN2O5S.

What is the molecular weight of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine?

The molecular weight of 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine is 440.11728 g/mol.

Where can I buy 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine?

You can request a quote for 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine?

Yes, CoreyChem provides custom synthesis services for 1-[(4-Chlorophenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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