2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid
TL;DR: 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid (CAS 697741-72-3) is a chemical compound with molecular formula C18H17FN2O3 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoic acid
Also Known As: Maybridge2_000111, 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoic acid, 2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}benzoic acid, IDI1_001151, 2-(4-(4-Fluorophenyl)piperazine-1-carbonyl)benzoic acid
| Molecular Formula | C18H17FN2O3 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1223 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 697741-72-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C(=O)O |
| InChIKey | WWIWGBHJEFLSRN-UHFFFAOYSA-N |
Product Overview
2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid (CAS 697741-72-3), with molecular formula C18H17FN2O3 and molecular weight 328.12 g/mol. IUPAC: 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoic acid.
Chemical Property Profile of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid
Property Insights of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid. Following Lipinski's Rule of Five, 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid has 1 hydrogen bond donor(s) and 5 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 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid?
The CAS number of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid is 697741-72-3.
What is the molecular formula of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid?
The molecular formula of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid is C18H17FN2O3.
What is the molecular weight of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid?
The molecular weight of 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid is 328.12 g/mol.
Where can I buy 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid?
You can request a quote for 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-Fluorophenyl)-1-piperazinyl)carbonyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.