2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 561004-50-0) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4- ester, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-ethyl 4-(2-oxopropyl) ester (9CI), 1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2-ethyl 4-(2-oxopropyl) ester, 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-(2-oxopropyl)ester(9CI)
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.55404 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 515.3484 |
Chemical Identifiers
| CAS Number | 561004-50-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C)C |
Product Overview
2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 561004-50-0), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 1.55404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 5 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-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 561004-50-0.
What is the molecular formula of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C13H17NO5.
What is the molecular weight of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 267.11 g/mol.
Where can I buy 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-O-ethyl 4-O-(2-oxopropyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.