3-(4-Methylpiperazin-1-yl)benzoic acid
TL;DR: 3-(4-Methylpiperazin-1-yl)benzoic acid (CAS 215309-01-6) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)benzoic acid
Also Known As: 3-(4-Methylpiperazin-1-yl)benzoic acid, Rutaecarpine, 3- benzoicacid, zlchem 853, 3-(4-Methyl-1-piperazinyl)benzoic acid
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 1.1366 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 384.36008 |
Chemical Identifiers
| CAS Number | 215309-01-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-(4-Methylpiperazin-1-yl)benzoic acid (CAS 215309-01-6), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)benzoic acid.
Chemical Property Profile of 3-(4-Methylpiperazin-1-yl)benzoic acid
Property Insights of 3-(4-Methylpiperazin-1-yl)benzoic acid
The XLogP value of 1.1366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylpiperazin-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 43.78 Ų, 3-(4-Methylpiperazin-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylpiperazin-1-yl)benzoic 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-Methylpiperazin-1-yl)benzoic acid?
The CAS number of 3-(4-Methylpiperazin-1-yl)benzoic acid is 215309-01-6.
What is the molecular formula of 3-(4-Methylpiperazin-1-yl)benzoic acid?
The molecular formula of 3-(4-Methylpiperazin-1-yl)benzoic acid is C12H16N2O2.
What is the molecular weight of 3-(4-Methylpiperazin-1-yl)benzoic acid?
The molecular weight of 3-(4-Methylpiperazin-1-yl)benzoic acid is 220.12 g/mol.
Where can I buy 3-(4-Methylpiperazin-1-yl)benzoic acid?
You can request a quote for 3-(4-Methylpiperazin-1-yl)benzoic 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-Methylpiperazin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylpiperazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.