2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester
TL;DR: 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester (CAS 2351-95-3) is a chemical compound with molecular formula C17H27NO7 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 3-(2-methylpropyl)-5-oxopyrrolidine-2,2,4-tricarboxylate
Also Known As: 3-Isobutyl-5-oxo-2,2,4-pyrrolidinetricarboxylic acid triethyl ester, 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester, triethyl 3-(2-methylpropyl)-5-oxopyrrolidine-2,2,4-tricarboxylate, Triethyl=3-isobutyl-5-oxo-2,2,4-pyrrolidinetricarboxylate, 2,2,4-Pyrrolidinetricarboxylic acid,3-isobutyl-5-oxo-,triethyl ester
| Molecular Formula | C17H27NO7 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 357.17874 |
| Heavy Atoms | 25 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 2351-95-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C(NC1=O)(C(=O)OCC)C(=O)OCC)CC(C)C |
| InChIKey | KHYYVUUKMPRHDX-UHFFFAOYSA-N |
Product Overview
2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester (CAS 2351-95-3), with molecular formula C17H27NO7 and molecular weight 357.18 g/mol. IUPAC: triethyl 3-(2-methylpropyl)-5-oxopyrrolidine-2,2,4-tricarboxylate.
Chemical Property Profile of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester
Property Insights of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester. Following Lipinski's Rule of Five, 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester 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 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester?
The CAS number of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester is 2351-95-3.
What is the molecular formula of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester?
The molecular formula of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester is C17H27NO7.
What is the molecular weight of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester?
The molecular weight of 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester is 357.18 g/mol.
Where can I buy 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester?
You can request a quote for 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.