Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate
TL;DR: Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate (CAS 1165796-84-8) is a chemical compound with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(2-phenylethylcarbamoyl)pyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate, tert-butyl 2-[(2-phenylethyl)carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C18H26N2O3 |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.19434 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 1165796-84-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC2=CC=CC=C2 |
| InChIKey | XPJJIRYVQMQRBO-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate (CAS 1165796-84-8), with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol. IUPAC: tert-butyl 2-(2-phenylethylcarbamoyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate
Property Insights of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate 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 Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate is 1165796-84-8.
What is the molecular formula of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate is C18H26N2O3.
What is the molecular weight of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate is 318.19 g/mol.
Where can I buy Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 2-(phenethylcarbamoyl)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-(phenethylcarbamoyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(phenethylcarbamoyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.