1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 423744-82-5) is a chemical compound with molecular formula C13H19BrN2O3S and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazine
Also Known As: 1-(3-bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine, BAS 02500572, BIM-0048740.P001, 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazine, 1-(3-Bromo-4-methoxy-benzyl)-4-methanesulfonyl-piperazine
| Molecular Formula | C13H19BrN2O3S |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 1.5349 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.02997 |
| Heavy Atoms | 20 |
| Complexity | 568.97906 |
Chemical Identifiers
| CAS Number | 423744-82-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C)Br |
Product Overview
1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine (CAS 423744-82-5), with molecular formula C13H19BrN2O3S and molecular weight 362.03 g/mol. IUPAC: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine
The XLogP value of 1.5349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.85 Ų, 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)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-(methylsulfonyl)piperazine?
The CAS number of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine is 423744-82-5.
What is the molecular formula of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine is C13H19BrN2O3S.
What is the molecular weight of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine is 362.03 g/mol.
Where can I buy 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(3-Bromo-4-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-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.