Pyrrole-3,4-diCOOH analog
TL;DR: Pyrrole-3,4-diCOOH analog (CAS 162151-92-0) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-benzyl-1-butyl-5-methylpyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-(phenylmethyl)-, dimethyl ester, dimethyl 2-benzyl-1-butyl-5-methylpyrrole-3,4-dicarboxylate, DIMETHYL 2-BENZYL-1-BUTYL-5-METHYL-PYRROLE-3,4-DICARBOXYLATE, Dimethyl 2-benzyl-1-butyl-5-methyl-1H-pyrrole-3,4-dicarboxylate
Technical Specifications
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.17834 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.17834 Da |
| Heavy Atoms | 25 |
| Complexity | 447.0 |
| SMILES | CCCCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C |
| InChIKey | MSUBZYFZHDXGDW-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrole-3,4-diCOOH analog
Property Insights of Pyrrole-3,4-diCOOH analog
The XLogP value of 3.9 indicates that Pyrrole-3,4-diCOOH analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Pyrrole-3,4-diCOOH analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole-3,4-diCOOH analog 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 Pyrrole-3,4-diCOOH analog?
The CAS number of Pyrrole-3,4-diCOOH analog is 162151-92-0.
What is the molecular formula of Pyrrole-3,4-diCOOH analog?
The molecular formula of Pyrrole-3,4-diCOOH analog is C20H25NO4.
What is the molecular weight of Pyrrole-3,4-diCOOH analog?
The molecular weight of Pyrrole-3,4-diCOOH analog is 343.17834 g/mol.
Where can I buy Pyrrole-3,4-diCOOH analog?
You can request a quote for Pyrrole-3,4-diCOOH analog directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrole-3,4-diCOOH analog?
Yes, CoreyChem provides custom synthesis services for Pyrrole-3,4-diCOOH analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.