(S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
TL;DR: (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (CAS 1228561-86-1) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-3-(4-chlorophenyl)piperazine-1-carboxylate
Also Known As: tert-Butyl (S)-3-(4-chlorophenyl)piperazine-1-carboxylate, (S)-3-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl (3S)-3-(4-chlorophenyl)piperazine-1-carboxylate, (S)-1-Boc-3-(4-chlorophenyl)piperazine, (S)-TERT-BUTYL 3-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLATE
Technical Specifications
| Molecular Formula | C15H21ClN2O2 |
| Molecular Weight | 296.12915 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12915 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)OC(=O)N1CCN[C@H](C1)C2=CC=C(C=C2)Cl |
| InChIKey | WWWIVVADARKSAS-CYBMUJFWSA-N |
Chemical Property Profile of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Property Insights of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 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
What is the CAS number of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester?
The CAS number of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is 1228561-86-1.
What is the molecular formula of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester?
The molecular formula of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is C15H21ClN2O2.
What is the molecular weight of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester?
The molecular weight of (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is 296.12915 g/mol.
Where can I buy (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester?
You can request a quote for (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for (S)-3-(4-Chloro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.