Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester
TL;DR: Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester (CAS 102597-66-0) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-phenyl-2-pyrrolidin-1-ylethyl) 2-phenoxypropanoate
Also Known As: 2-Phenoxypropionic acid alpha-(1-pyrrolidinylmethyl)benzyl ester, 4-20-00-00143 (Beilstein Handbook Reference), 1-Pyrrolidineethanol, alpha-phenyl-, 2-phenoxypropionate, Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, 1-PHENYL-2-(PYRROLIDIN-1-YL)ETHYL 2-PHENOXYPROPANOATE
Technical Specifications
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.18344 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.18344 Da |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
| SMILES | CC(C(=O)OC(CN1CCCC1)C2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | VLNBYJUVKJMTPE-UHFFFAOYSA-N |
Chemical Property Profile of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester
Property Insights of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester
The XLogP value of 4.3 indicates that Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl 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 Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The CAS number of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester is 102597-66-0.
What is the molecular formula of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The molecular formula of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester is C21H25NO3.
What is the molecular weight of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester?
The molecular weight of Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester is 339.18344 g/mol.
Where can I buy Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester?
You can request a quote for Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester?
Yes, CoreyChem provides custom synthesis services for Propionic acid, 2-phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.