1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester
TL;DR: 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester (CAS 106753-86-0) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-ethyl 2-O-phenyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester, 4-O-ethyl 2-O-phenyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 4-Ethyl 2-phenyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylic acid,3,5-dimethyl-,4-ethyl 2-phenyl ester
Technical Specifications
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.11575 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.11575 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OC2=CC=CC=C2)C |
| InChIKey | HVBHFRWAMUCOSW-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester
Property Insights of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester
The XLogP value of 3.4 indicates that 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester?
The CAS number of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester is 106753-86-0.
What is the molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester?
The molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester is C16H17NO4.
What is the molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester?
The molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester is 287.11575 g/mol.
Where can I buy 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester?
You can request a quote for 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl 2-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.