4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid
TL;DR: 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid (CAS 895519-97-8) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid
Also Known As: 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid, 4-[(4-ethylpiperazin-1-yl)methyl]benzoic Acid, 4-((4-ethylpiperazin-1-yl)methyl)benzoic acid, 4-(4-Ethylpiperazin-1-ylmethyl)benzoicacid, 4-[(4-ethylpiperazinyl)methyl]benzoic acid
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.5223 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 394.75995 |
Chemical Identifiers
| CAS Number | 895519-97-8 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid (CAS 895519-97-8), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid.
Chemical Property Profile of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid
Property Insights of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid
The XLogP value of 1.5223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid. With a topological polar surface area (TPSA) of 43.78 Ų, 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Ethylpiperazin-1-ylmethyl)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 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid?
The CAS number of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid is 895519-97-8.
What is the molecular formula of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid?
The molecular formula of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid is C14H20N2O2.
What is the molecular weight of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid?
The molecular weight of 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid is 248.15 g/mol.
Where can I buy 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid?
You can request a quote for 4-(4-Ethylpiperazin-1-ylmethyl)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-(4-Ethylpiperazin-1-ylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethylpiperazin-1-ylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.