4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid
TL;DR: 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid (CAS 847871-76-5) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-(4-methylpiperazin-1-yl)benzoic acid
Also Known As: 4-methoxy-3-(4-methyl-1-piperazinyl)benzoic acid, 4-methoxy-3-(4-methylpiperazin-1-yl)benzoic Acid, 3-(4-Methyl-1-piperazinyl)-4-methoxybenzoic acid, 4-methoxy-3-(4-methyl piperazin-1-yl)benzoic acid
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.1452 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 439.86255 |
Chemical Identifiers
| CAS Number | 847871-76-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=CC(=C2)C(=O)O)OC |
Product Overview
4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid (CAS 847871-76-5), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 4-methoxy-3-(4-methylpiperazin-1-yl)benzoic acid.
Chemical Property Profile of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid
Property Insights of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid
The XLogP value of 1.1452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid. With a topological polar surface area (TPSA) of 53.01 Ų, 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic 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-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid?
The CAS number of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid is 847871-76-5.
What is the molecular formula of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid?
The molecular formula of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid is C13H18N2O3.
What is the molecular weight of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid?
The molecular weight of 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid is 250.13 g/mol.
Where can I buy 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid?
You can request a quote for 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.