4-ethenoxybutyl Benzoate
TL;DR: 4-ethenoxybutyl Benzoate (CAS 144429-21-0) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethenoxybutyl benzoate
Also Known As: 4-ethenoxybutyl Benzoate, 4-vinyloxybutylbenzoate, 4-(ETHENYLOXY)BUTYL BENZOATE, 1-Butanol,4-(ethenyloxy)-,benzoate, 1-Butanol,4-(ethenyloxy)-, 1-benzoate
Technical Specifications
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
| SMILES | C=COCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | AKQVBBOVHAEKMA-UHFFFAOYSA-N |
Chemical Property Profile of 4-ethenoxybutyl Benzoate
Property Insights of 4-ethenoxybutyl Benzoate
The XLogP value of 3.9 indicates that 4-ethenoxybutyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-ethenoxybutyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethenoxybutyl Benzoate 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 4-ethenoxybutyl Benzoate?
The CAS number of 4-ethenoxybutyl Benzoate is 144429-21-0.
What is the molecular formula of 4-ethenoxybutyl Benzoate?
The molecular formula of 4-ethenoxybutyl Benzoate is C13H16O3.
What is the molecular weight of 4-ethenoxybutyl Benzoate?
The molecular weight of 4-ethenoxybutyl Benzoate is 220.10994 g/mol.
Where can I buy 4-ethenoxybutyl Benzoate?
You can request a quote for 4-ethenoxybutyl Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-ethenoxybutyl Benzoate?
Yes, CoreyChem provides custom synthesis services for 4-ethenoxybutyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.