Pentanoic acid, 2-phenoxyethyl ester
TL;DR: Pentanoic acid, 2-phenoxyethyl ester (CAS 23495-13-8) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenoxyethyl pentanoate
Also Known As: 2-phenoxyethyl pentanoate, Pentanoic acid, 2-phenoxyethyl ester, 2-phenoxyethyl valerate, Pentanoicacid2-phenoxyethylester, 1-Phenoxy-2-valeryloxy-aethan
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
| SMILES | CCCCC(=O)OCCOC1=CC=CC=C1 |
| InChIKey | VTDVFBXXQCGSIB-UHFFFAOYSA-N |
Chemical Property Profile of Pentanoic acid, 2-phenoxyethyl ester
Property Insights of Pentanoic acid, 2-phenoxyethyl ester
The XLogP value of 3.2 indicates that Pentanoic acid, 2-phenoxyethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Pentanoic acid, 2-phenoxyethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-phenoxyethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 2-phenoxyethyl ester?
The CAS number of Pentanoic acid, 2-phenoxyethyl ester is 23495-13-8.
What is the molecular formula of Pentanoic acid, 2-phenoxyethyl ester?
The molecular formula of Pentanoic acid, 2-phenoxyethyl ester is C13H18O3.
What is the molecular weight of Pentanoic acid, 2-phenoxyethyl ester?
The molecular weight of Pentanoic acid, 2-phenoxyethyl ester is 222.1256 g/mol.
Where can I buy Pentanoic acid, 2-phenoxyethyl ester?
You can request a quote for Pentanoic acid, 2-phenoxyethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanoic acid, 2-phenoxyethyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanoic acid, 2-phenoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.