1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid
TL;DR: 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid (CAS 94108-45-9) is a chemical compound with molecular formula C27H49NO3 and molecular weight 435.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-docos-13-enyl-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(Docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid, 3-Pyrrolidinecarboxylicacid, 1-(13-docosen-1-yl)-5-oxo-, 1-(DOCOS-13-EN-1-YL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C27H49NO3 |
|---|---|
| Molecular Weight | 435.37 g/mol |
| LogP | 7.5174 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 435.37125 |
| Heavy Atoms | 31 |
| Complexity | 488.87323 |
Chemical Identifiers
| CAS Number | 94108-45-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCCCCCN1CC(CC1=O)C(=O)O |
Product Overview
1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid (CAS 94108-45-9), with molecular formula C27H49NO3 and molecular weight 435.37 g/mol. IUPAC: 1-docos-13-enyl-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid
Property Insights of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid
The XLogP value of 7.5174 indicates that 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid?
The CAS number of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid is 94108-45-9.
What is the molecular formula of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular formula of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid is C27H49NO3.
What is the molecular weight of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular weight of 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid is 435.37 g/mol.
Where can I buy 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid?
You can request a quote for 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(13-Docosen-1-yl)-5-oxo-3-pyrrolidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.