1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester (CAS 106762-00-9) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-benzyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, dimethyl 2-benzyl-1H-pyrrole-3,4-dicarboxylate, 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester, 2-benzyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester, 1H-Pyrrole-3,4-dicarboxylicacid, 2-(phenylmethyl)-, 3,4-dimethyl ester
Technical Specifications
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | COC(=O)C1=CNC(=C1C(=O)OC)CC2=CC=CC=C2 |
| InChIKey | AEAFZYSWXRLHST-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl 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-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester is 106762-00-9.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester is C15H15NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester is 273.1001 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, 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, 2-(phenylmethyl)-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 2-(phenylmethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.