1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine
TL;DR: 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine (CAS 441745-76-2) is a chemical compound with molecular formula C16H26N2O4S and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
Also Known As: BAS 03152623, 1-(2,3-dimethoxybenzyl)-4-(propylsulfonyl)piperazine, 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine, 1-(2,3-Dimethoxy-benzyl)-4-(propane-1-sulfonyl)-piperazine
| Molecular Formula | C16H26N2O4S |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.16132 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 441745-76-2 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)OC)OC |
| InChIKey | YYWVBZGEUCBXKT-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine (CAS 441745-76-2), with molecular formula C16H26N2O4S and molecular weight 342.16 g/mol. IUPAC: 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine.
Chemical Property Profile of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine
Property Insights of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)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-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine?
The CAS number of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine is 441745-76-2.
What is the molecular formula of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine?
The molecular formula of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine is C16H26N2O4S.
What is the molecular weight of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine?
The molecular weight of 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine is 342.16 g/mol.
Where can I buy 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine?
You can request a quote for 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethoxybenzyl)-4-(propylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.