4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid
TL;DR: 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid (CAS 306730-13-2) is a chemical compound with molecular formula C15H19BrN2O3 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Also Known As: 4-(4-bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid, 4-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, 4-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic Acid, 4-(4-bromophenyl)-2-(4-methylpiperazino)-4-oxobutanoic acid, 4-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoicacid
| Molecular Formula | C15H19BrN2O3 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 1.7225 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.05792 |
| Heavy Atoms | 21 |
| Complexity | 510.15494 |
Chemical Identifiers
| CAS Number | 306730-13-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid (CAS 306730-13-2), with molecular formula C15H19BrN2O3 and molecular weight 354.06 g/mol. IUPAC: 4-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid
Property Insights of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid
The XLogP value of 1.7225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid has 1 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 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid?
The CAS number of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid is 306730-13-2.
What is the molecular formula of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid?
The molecular formula of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid is C15H19BrN2O3.
What is the molecular weight of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid?
The molecular weight of 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid is 354.06 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid?
You can request a quote for 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.