4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester
TL;DR: 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester (CAS 1324530-12-2) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]acetate
Also Known As: Tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]acetate, 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.0585 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 557.6832 |
Chemical Identifiers
| CAS Number | 1324530-12-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester (CAS 1324530-12-2), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: tert-butyl 2-[4-(4-nitrophenyl)piperazin-1-yl]acetate.
Chemical Property Profile of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester
Property Insights of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester
The XLogP value of 2.0585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester?
The CAS number of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester is 1324530-12-2.
What is the molecular formula of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester?
The molecular formula of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester is C16H23N3O4.
What is the molecular weight of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester?
The molecular weight of 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester is 321.17 g/mol.
Where can I buy 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester?
You can request a quote for 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrophenyl)-1-piperazineacetic acid 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.