1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine
TL;DR: 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine (CAS 500867-38-9) is a chemical compound with molecular formula C21H25BrN2O and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzhydrylpiperazin-1-yl)-2-bromo-2-methylpropan-1-one
Also Known As: NCI60_004943, 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine, 2-bromo-1-[4-(diphenylmethyl)piperazin-1-yl]-2-methylpropan-1-one, 1-(4-benzhydrylpiperazin-1-yl)-2-bromo-2-methyl-propan-1-one, 1-(4-benzhydrylpiperazin-1-yl)-2-bromo-2-methylpropan-1-one
| Molecular Formula | C21H25BrN2O |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11502 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 500867-38-9 |
|---|---|
| SMILES | CC(C)(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)Br |
| InChIKey | RUXAEENIJHBTMW-UHFFFAOYSA-N |
Product Overview
1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine (CAS 500867-38-9), with molecular formula C21H25BrN2O and molecular weight 400.12 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-2-bromo-2-methylpropan-1-one.
Chemical Property Profile of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine
Property Insights of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine
The XLogP value of 4.1 indicates that 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine has 0 hydrogen bond donor(s) and 2 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-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine?
The CAS number of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine is 500867-38-9.
What is the molecular formula of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine?
The molecular formula of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine is C21H25BrN2O.
What is the molecular weight of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine?
The molecular weight of 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine is 400.12 g/mol.
Where can I buy 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine?
You can request a quote for 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.