![Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate structure](/static/products/828/828299-83-8.png)
Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate
TL;DR: Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate (CAS 828299-83-8) is a chemical compound with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate
Also Known As: tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate, Tert-butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate, 1-Boc-4-[(3-chlorophenyl)carbonyl]piperazine, 1,1-Dimethylethyl 4-(3-chlorobenzoyl)-1-piperazinecarboxylate, tert-Butyl 4-(3-chlorobenzoyl)piperazine- 1-carboxylate
| Molecular Formula | C16H21ClN2O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 3.0329 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.12408 |
| Heavy Atoms | 22 |
| Complexity | 560.7545 |
Chemical Identifiers
| CAS Number | 828299-83-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl |
Product Overview
Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate (CAS 828299-83-8), with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol. IUPAC: tert-butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate
Property Insights of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate
The XLogP value of 3.0329 indicates that Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate has 0 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 Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate is 828299-83-8.
What is the molecular formula of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate is C16H21ClN2O3.
What is the molecular weight of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate is 324.12 g/mol.
Where can I buy Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.