1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 461418-69-9) is a chemical compound with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine
Also Known As: BAS 04444086, 1-(3,4-dimethoxybenzyl)-4-(methylsulfonyl)piperazine, 1-(3,4-Dimethoxy-benzyl)-4-methanesulfonyl-piperazine, 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine
| Molecular Formula | C14H22N2O4S |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 0.781 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.13004 |
| Heavy Atoms | 21 |
| Complexity | 580.63684 |
Chemical Identifiers
| CAS Number | 461418-69-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C)OC |
Product Overview
1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 461418-69-9), with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine
The XLogP value of 0.781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 59.08 Ų, 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine is 461418-69-9.
What is the molecular formula of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine is C14H22N2O4S.
What is the molecular weight of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine is 314.13 g/mol.
Where can I buy 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxybenzyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.