Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate
TL;DR: Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate (CAS 2351-96-4) is a chemical compound with molecular formula C18H29NO7 and molecular weight 371.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate
Also Known As: NCIOpen2_009198, triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate, 5-oxo-3-pentyl-pyrrolidine-2,2,4-tricarboxylic acid triethyl ester
| Molecular Formula | C18H29NO7 |
|---|---|
| Molecular Weight | 371.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 371.1944 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 2351-96-4 |
|---|---|
| SMILES | CCCCCC1C(C(=O)NC1(C(=O)OCC)C(=O)OCC)C(=O)OCC |
| InChIKey | DLUUCPGURIULFB-UHFFFAOYSA-N |
Product Overview
Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate (CAS 2351-96-4), with molecular formula C18H29NO7 and molecular weight 371.19 g/mol. IUPAC: triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate.
Chemical Property Profile of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate
Property Insights of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate
The XLogP value of 3.1 indicates that Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate has 1 hydrogen bond donor(s) and 7 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 Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate?
The CAS number of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate is 2351-96-4.
What is the molecular formula of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate?
The molecular formula of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate is C18H29NO7.
What is the molecular weight of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate?
The molecular weight of Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate is 371.19 g/mol.
Where can I buy Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate?
You can request a quote for Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.