N-Boc-pyrrolidine
TL;DR: N-Boc-pyrrolidine (CAS 103057-44-9) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl pyrrolidine-1-carboxylate
Also Known As: 1-Boc-Pyrrolidine, N-Boc-pyrrolidine, tert-butyl pyrrolidine-1-carboxylate, Boc-pyrrolidine, tert-Butyl 1-pyrrolidinecarboxylate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 103057-44-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1 |
| InChIKey | LPQZERIRKRYGGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Boc-pyrrolidine (CAS 103057-44-9), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: tert-butyl pyrrolidine-1-carboxylate.
Chemical Property Profile of N-Boc-pyrrolidine
Property Insights of N-Boc-pyrrolidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-pyrrolidine. With a topological polar surface area (TPSA) of 29.5 Ų, N-Boc-pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Boc-pyrrolidine has 0 hydrogen bond donor(s) and 2 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-Boc-pyrrolidine?
The CAS number of N-Boc-pyrrolidine is 103057-44-9.
What is the molecular formula of N-Boc-pyrrolidine?
The molecular formula of N-Boc-pyrrolidine is C9H17NO2.
What is the molecular weight of N-Boc-pyrrolidine?
The molecular weight of N-Boc-pyrrolidine is 171.13 g/mol.
Where can I buy N-Boc-pyrrolidine?
You can request a quote for N-Boc-pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.