1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine
TL;DR: 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine (CAS 701288-31-5) is a chemical compound with molecular formula C20H23BrN2O3S and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
Also Known As: 1-(3-bromobenzoyl)-4-(mesitylsulfonyl)piperazine, VU0508562-1, F3083-0018, AP-124/42503860, 1-(3-bromobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine
| Molecular Formula | C20H23BrN2O3S |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 3.52106 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.06128 |
| Heavy Atoms | 27 |
| Complexity | 957.4665 |
Chemical Identifiers
| CAS Number | 701288-31-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)C |
Product Overview
1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine (CAS 701288-31-5), with molecular formula C20H23BrN2O3S and molecular weight 450.06 g/mol. IUPAC: (3-bromophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine
Property Insights of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine
The XLogP value of 3.52106 indicates that 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 3 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-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine?
The CAS number of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine is 701288-31-5.
What is the molecular formula of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine?
The molecular formula of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine is C20H23BrN2O3S.
What is the molecular weight of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine?
The molecular weight of 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine is 450.06 g/mol.
Where can I buy 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine?
You can request a quote for 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)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-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromobenzoyl)-4-(mesitylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.