1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine
TL;DR: 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine (CAS 423740-20-9) is a chemical compound with molecular formula C18H21BrN2O3S and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
Also Known As: BAS 03050165, 1-(3-bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine, AT-057/43313865, 1-(benzenesulfonyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine, 1-Benzenesulfonyl-4-(3-bromo-4-methoxy-benzyl)-piperazine
| Molecular Formula | C18H21BrN2O3S |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 2.9642 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.04562 |
| Heavy Atoms | 25 |
| Complexity | 819.4697 |
Chemical Identifiers
| CAS Number | 423740-20-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br |
Product Overview
1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine (CAS 423740-20-9), with molecular formula C18H21BrN2O3S and molecular weight 424.05 g/mol. IUPAC: 1-(benzenesulfonyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine.
Chemical Property Profile of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine
Property Insights of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine
The XLogP value of 2.9642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.85 Ų, 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)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-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine?
The CAS number of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine is 423740-20-9.
What is the molecular formula of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine?
The molecular formula of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine is C18H21BrN2O3S.
What is the molecular weight of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine?
The molecular weight of 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine is 424.05 g/mol.
Where can I buy 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine?
You can request a quote for 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)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-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-4-methoxybenzyl)-4-(phenylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.