1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine
TL;DR: 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine (CAS 428823-76-1) is a chemical compound with molecular formula C14H21BrN2O3S and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylsulfonylpiperazine
Also Known As: BAS 03152458, 1-(5-bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine, 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylsulfonylpiperazine, 1-(5-Bromo-2-methoxy-benzyl)-4-ethanesulfonyl-piperazine, 1-[(5-BROMO-2-METHOXYPHENYL)METHYL]-4-(ETHANESULFONYL)PIPERAZINE
| Molecular Formula | C14H21BrN2O3S |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 1.925 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.04562 |
| Heavy Atoms | 21 |
| Complexity | 583.88196 |
Chemical Identifiers
| CAS Number | 428823-76-1 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)OC |
Product Overview
1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine (CAS 428823-76-1), with molecular formula C14H21BrN2O3S and molecular weight 376.05 g/mol. IUPAC: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylsulfonylpiperazine.
Chemical Property Profile of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine
Property Insights of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine
The XLogP value of 1.925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.85 Ų, 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 4 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-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine?
The CAS number of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine is 428823-76-1.
What is the molecular formula of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine?
The molecular formula of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine is C14H21BrN2O3S.
What is the molecular weight of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine?
The molecular weight of 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine is 376.05 g/mol.
Where can I buy 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine?
You can request a quote for 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-methoxybenzyl)-4-(ethylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.