4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid
TL;DR: 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid (CAS 896514-24-2) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic acid
Also Known As: 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid, 4-{[4-(sec-Butyl)-1-piperazinyl]carbonyl}benzoic acid
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 1.9411 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 504.7583 |
Chemical Identifiers
| CAS Number | 896514-24-2 |
|---|---|
| SMILES | CCC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid (CAS 896514-24-2), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic acid.
Chemical Property Profile of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid
Property Insights of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid
The XLogP value of 1.9411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid. Following Lipinski's Rule of Five, 4-(4-butan-2-ylpiperazine-1-carbonyl)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-butan-2-ylpiperazine-1-carbonyl)benzoic Acid?
The CAS number of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid is 896514-24-2.
What is the molecular formula of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid?
The molecular formula of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid is C16H22N2O3.
What is the molecular weight of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid?
The molecular weight of 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid is 290.16 g/mol.
Where can I buy 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid?
You can request a quote for 4-(4-butan-2-ylpiperazine-1-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 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-butan-2-ylpiperazine-1-carbonyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.