2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
TL;DR: 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid (CAS 444582-90-5) 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.
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
Also Known As: 1-Boc-4-(2-carboxyphenyl)piperazine, 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid, 1-boc-4-(2-carboxy-phenyl)-piperazine, 2-(4-boc-piperazin-1-yl)benzoic acid, 1-(2-carboxyphenyl)-4-Boc piperazine
| 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 | 557.5094 |
Chemical Identifiers
| CAS Number | 444582-90-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)O |
Product Overview
2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid (CAS 444582-90-5), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid.
Chemical Property Profile of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
Property Insights of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
The XLogP value of 2.4419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(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 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(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 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid?
The CAS number of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid is 444582-90-5.
What is the molecular formula of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid?
The molecular formula of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid is C16H22N2O4.
What is the molecular weight of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid?
The molecular weight of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid is 306.16 g/mol.
Where can I buy 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid?
You can request a quote for 2-(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 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.