2-Pyrrolidin-1-ylethyl 4-propoxybenzoate
TL;DR: 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate (CAS 27793-59-5) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrrolidin-1-ylethyl 4-propoxybenzoate
Also Known As: 2-pyrrolidin-1-ylethyl 4-propoxybenzoate, 2-(PYRROLIDIN-1-YL)ETHYL 4-PROPOXYBENZOATE
Technical Specifications
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.1678 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.1678 Da |
| Heavy Atoms | 20 |
| Complexity | 281.0 |
| SMILES | CCCOC1=CC=C(C=C1)C(=O)OCCN2CCCC2 |
| InChIKey | UXWKRIVEXUOWEL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate
Property Insights of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate
The XLogP value of 3.2 indicates that 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate 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 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate?
The CAS number of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate is 27793-59-5.
What is the molecular formula of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate?
The molecular formula of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate is C16H23NO3.
What is the molecular weight of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate?
The molecular weight of 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate is 277.1678 g/mol.
Where can I buy 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate?
You can request a quote for 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Pyrrolidin-1-ylethyl 4-propoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.