1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene
TL;DR: 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene (CAS 349430-56-4) is a chemical compound with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
Also Known As: 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene, 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone, 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one, 2-(4-bromophenyl)-1-morpholin-4-ylethanone, A-3101
| Molecular Formula | C13H17BrN2O |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.7656 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.05243 |
| Heavy Atoms | 17 |
| Complexity | 382.91086 |
Chemical Identifiers
| CAS Number | 349430-56-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC2=CC=C(C=C2)Br |
Product Overview
1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene (CAS 349430-56-4), with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol. IUPAC: 2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone.
Chemical Property Profile of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene
Property Insights of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene
The XLogP value of 1.7656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene. With a topological polar surface area (TPSA) of 23.55 Ų, 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene 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-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene?
The CAS number of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene is 349430-56-4.
What is the molecular formula of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene?
The molecular formula of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene is C13H17BrN2O.
What is the molecular weight of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene?
The molecular weight of 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene is 296.05 g/mol.
Where can I buy 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene?
You can request a quote for 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.