1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine
TL;DR: 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine (CAS 428503-80-4) is a chemical compound with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Also Known As: BAS 01376025, 1-(phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine, 1-(benzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine, 1-Benzenesulfonyl-4-(2,3,4-trimethoxy-benzyl)-piperazine
| Molecular Formula | C20H26N2O5S |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.2189 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.15625 |
| Heavy Atoms | 28 |
| Complexity | 894.31213 |
Chemical Identifiers
| CAS Number | 428503-80-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC)OC |
Product Overview
1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine (CAS 428503-80-4), with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol. IUPAC: 1-(benzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
Chemical Property Profile of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine
Property Insights of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine
The XLogP value of 2.2189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine?
The CAS number of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine is 428503-80-4.
What is the molecular formula of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine?
The molecular formula of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine is C20H26N2O5S.
What is the molecular weight of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine?
The molecular weight of 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine is 406.16 g/mol.
Where can I buy 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine?
You can request a quote for 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.