diethyl (2S)-2-pyrrol-1-ylpentanedioate
TL;DR: diethyl (2S)-2-pyrrol-1-ylpentanedioate (CAS 157034-04-3) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (2S)-2-pyrrol-1-ylpentanedioate
Also Known As: diethyl (2S)-2-pyrrol-1-ylpentanedioate, diethyl (S)-2-(1H-pyrrol-1-yl)pentanedioate, (2S)-2-(1-Pyrrolyl)glutaric acid diethyl ester, Diethyl (2S)-2-(1H-pyrrol-1-yl)pentanedioate, (S)-2-(1H-Pyrrol-1-yl)glutaric acid diethyl ester
Technical Specifications
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.13141 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 253.13141 Da |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
| SMILES | CCOC(=O)CC[C@@H](C(=O)OCC)N1C=CC=C1 |
| InChIKey | SKQZPYYDNOLPET-NSHDSACASA-N |
Chemical Property Profile of diethyl (2S)-2-pyrrol-1-ylpentanedioate
Property Insights of diethyl (2S)-2-pyrrol-1-ylpentanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (2S)-2-pyrrol-1-ylpentanedioate. With a topological polar surface area (TPSA) of 57.5 Ų, diethyl (2S)-2-pyrrol-1-ylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl (2S)-2-pyrrol-1-ylpentanedioate 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 diethyl (2S)-2-pyrrol-1-ylpentanedioate?
The CAS number of diethyl (2S)-2-pyrrol-1-ylpentanedioate is 157034-04-3.
What is the molecular formula of diethyl (2S)-2-pyrrol-1-ylpentanedioate?
The molecular formula of diethyl (2S)-2-pyrrol-1-ylpentanedioate is C13H19NO4.
What is the molecular weight of diethyl (2S)-2-pyrrol-1-ylpentanedioate?
The molecular weight of diethyl (2S)-2-pyrrol-1-ylpentanedioate is 253.13141 g/mol.
Where can I buy diethyl (2S)-2-pyrrol-1-ylpentanedioate?
You can request a quote for diethyl (2S)-2-pyrrol-1-ylpentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for diethyl (2S)-2-pyrrol-1-ylpentanedioate?
Yes, CoreyChem provides custom synthesis services for diethyl (2S)-2-pyrrol-1-ylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.