4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester
TL;DR: 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester (CAS 885958-75-8) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-benzoyl-1-benzylpyrrolidine-3-carboxylate
Also Known As: ethyl 4-benzoyl-1-benzylpyrrolidine-3-carboxylate, 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester, Ethyl 4-benzoyl-1-benzyl-pyrrolidine-3-carboxylate, 4-benzoyl-1-benzylpyrrolidine-3-carboxylic acid ethyl ester
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 3.1806 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 714.4357 |
Chemical Identifiers
| CAS Number | 885958-75-8 |
|---|---|
| SMILES | CCOC(=O)C1CN(CC1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3 |
Product Overview
4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester (CAS 885958-75-8), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: ethyl 4-benzoyl-1-benzylpyrrolidine-3-carboxylate.
Chemical Property Profile of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester
Property Insights of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester
The XLogP value of 3.1806 indicates that 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 4 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 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester?
The CAS number of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester is 885958-75-8.
What is the molecular formula of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester?
The molecular formula of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester is C21H23NO3.
What is the molecular weight of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester?
The molecular weight of 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester is 337.17 g/mol.
Where can I buy 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester?
You can request a quote for 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-1-benzyl-pyrrolidine-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.