1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester (CAS 121409-69-6) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-benzyl-1,5-dimethylpyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester, dimethyl 2-benzyl-1,5-dimethylpyrrole-3,4-dicarboxylate, dimethyl 2-benzyl-1,5-dimethyl-pyrrole-3,4-dicarboxylate, Dimethyl 2-benzyl-1,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Technical Specifications
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.1314 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1314 Da |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
| SMILES | CC1=C(C(=C(N1C)CC2=CC=CC=C2)C(=O)OC)C(=O)OC |
| InChIKey | RSUFSSOCFQTKNN-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester. With a topological polar surface area (TPSA) of 57.5 Ų, 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, 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, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester is 121409-69-6.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester is C17H19NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester is 301.1314 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(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, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 1,2-dimethyl-5-(phenylmethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.