Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
TL;DR: Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate (CAS 399044-21-4) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
Also Known As: 1-Boc-2-Allylpyrrolidine, tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate, tert-butyl 2-allylpyrrolidine-1-carboxylate, Tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate, tert-butyl (2S)-2-allylpyrrolidine-1-carboxylate
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 2.962 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 242.4969 |
Chemical Identifiers
| CAS Number | 399044-21-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1CC=C |
Product Overview
Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate (CAS 399044-21-4), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
Property Insights of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
The XLogP value of 2.962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate 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 Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate is 399044-21-4.
What is the molecular formula of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate is C12H21NO2.
What is the molecular weight of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate is 211.16 g/mol.
Where can I buy Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-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 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.