![4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid structure](/static/products/111/1118752-92-3.png)
4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
TL;DR: 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid (CAS 1118752-92-3) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
Also Known As: 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid, Boc-piperazine-benzoic acid, 4-[4-(tert-butoxycarbonyl)piperazino]benzoic acid, buttpark 98\06-97, 4-(4-boc-1-piperazineyl)benzoic acid
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 2.4419 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 540.2594 |
Chemical Identifiers
| CAS Number | 1118752-92-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid (CAS 1118752-92-3), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid.
Chemical Property Profile of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
Property Insights of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
The XLogP value of 2.4419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]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-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid?
The CAS number of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid is 1118752-92-3.
What is the molecular formula of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid?
The molecular formula of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid is C16H22N2O4.
What is the molecular weight of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid?
The molecular weight of 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid is 306.16 g/mol.
Where can I buy 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid?
You can request a quote for 4-[4-(tert-Butoxycarbonyl)piperazin-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 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.