![3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid structure](/static/products/896/896520-41-5.png)
3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid
TL;DR: 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid (CAS 896520-41-5) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropanoic acid
Also Known As: starbld0011277, 3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropanoic acid, 3-Oxo-3-(4-(o-tolyl)piperazin-1-yl)propanoic acid, 3-[4-(2-Methylphenyl)-1-piperazinyl]-3-oxopropanoic acid, 3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-propanoic Acid
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 1.11832 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 479.33435 |
Chemical Identifiers
| CAS Number | 896520-41-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)O |
Product Overview
3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid (CAS 896520-41-5), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: 3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropanoic acid.
Chemical Property Profile of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid
Property Insights of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid
The XLogP value of 1.11832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid has 1 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 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid?
The CAS number of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid is 896520-41-5.
What is the molecular formula of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid?
The molecular formula of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid is C14H18N2O3.
What is the molecular weight of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid?
The molecular weight of 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid is 262.13 g/mol.
Where can I buy 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid?
You can request a quote for 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-Methylphenyl)piperazin-1-yl]-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.