N-叔丁氧羰基哌嗪
TL;DR: N-叔丁氧羰基哌嗪 (CAS 72648-80-7) is a chemical compound with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-叔丁氧羰基哌嗪
tert-butyl piperazine-1-carboxylate
Also Known As: 1-Boc-piperazine, N-Boc-piperazine, tert-butyl piperazine-1-carboxylate, 1-N-Boc-piperazine, tert-Butyl 1-piperazinecarboxylate
| Molecular Formula | C9H18N2O2 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.13683 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 72648-80-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCNCC1 |
| InChIKey | CWXPZXBSDSIRCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-叔丁氧羰基哌嗪 (CAS 72648-80-7), with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol. IUPAC: tert-butyl piperazine-1-carboxylate.
Chemical Property Profile of N-叔丁氧羰基哌嗪
Property Insights of N-叔丁氧羰基哌嗪
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-叔丁氧羰基哌嗪. With a topological polar surface area (TPSA) of 41.6 Ų, N-叔丁氧羰基哌嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-叔丁氧羰基哌嗪 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
Frequently Asked Questions
What is the CAS number of N-叔丁氧羰基哌嗪?
The CAS number of N-叔丁氧羰基哌嗪 is 72648-80-7.
What is the molecular formula of N-叔丁氧羰基哌嗪?
The molecular formula of N-叔丁氧羰基哌嗪 is C9H18N2O2.
What is the molecular weight of N-叔丁氧羰基哌嗪?
The molecular weight of N-叔丁氧羰基哌嗪 is 186.14 g/mol.
Where can I buy N-叔丁氧羰基哌嗪?
You can request a quote for N-叔丁氧羰基哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-叔丁氧羰基哌嗪?
Yes, KEHONG BIO provides custom synthesis services for N-叔丁氧羰基哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.