1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester (CAS 162151-94-2) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 1-butyl-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester, dimethyl 1-butyl-2-methyl-5-phenylpyrrole-3,4-dicarboxylate, DIMETHYL 1-BUTYL-2-METHYL-5-PHENYL-PYRROLE-3,4-DICARBOXYLATE, Dimethyl 1-butyl-2-methyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate
Technical Specifications
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.16272 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.16272 Da |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
| SMILES | CCCCN1C(=C(C(=C1C2=CC=CC=C2)C(=O)OC)C(=O)OC)C |
| InChIKey | ZWDUMKJFZANDEY-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester
The XLogP value of 3.6 indicates that 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester has 0 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-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester is 162151-94-2.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester is C19H23NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester is 329.16272 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-phenyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.