1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 428826-15-7) is a chemical compound with molecular formula C15H24N2O4S and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methylsulfonylpiperazine
Also Known As: BAS 03152694, 1-(4-ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine, 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methylsulfonylpiperazine, 1-(4-Ethoxy-3-methoxy-benzyl)-4-methanesulfonyl-piperazine
| Molecular Formula | C15H24N2O4S |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.1457 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 428826-15-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C)OC |
| InChIKey | BJANOVACDSWEAN-UHFFFAOYSA-N |
Product Overview
1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 428826-15-7), with molecular formula C15H24N2O4S and molecular weight 328.15 g/mol. IUPAC: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)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-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine is 428826-15-7.
What is the molecular formula of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine is C15H24N2O4S.
What is the molecular weight of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine is 328.15 g/mol.
Where can I buy 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(4-Ethoxy-3-methoxybenzyl)-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-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxy-3-methoxybenzyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.