Ethyl 3-phenylheptanoate
TL;DR: Ethyl 3-phenylheptanoate (CAS 63473-85-8) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylheptanoate
Also Known As: Ethyl 3-phenylheptanoate, Ethyl3-phenylheptanoate, 665-858-6, RefChem:595079
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.9136 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 318.95352 |
Chemical Identifiers
| CAS Number | 63473-85-8 |
|---|---|
| SMILES | CCCCC(CC(=O)OCC)C1=CC=CC=C1 |
Product Overview
Ethyl 3-phenylheptanoate (CAS 63473-85-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: ethyl 3-phenylheptanoate.
Chemical Property Profile of Ethyl 3-phenylheptanoate
Property Insights of Ethyl 3-phenylheptanoate
The XLogP value of 3.9136 indicates that Ethyl 3-phenylheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-phenylheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylheptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-phenylheptanoate?
The CAS number of Ethyl 3-phenylheptanoate is 63473-85-8.
What is the molecular formula of Ethyl 3-phenylheptanoate?
The molecular formula of Ethyl 3-phenylheptanoate is C15H22O2.
What is the molecular weight of Ethyl 3-phenylheptanoate?
The molecular weight of Ethyl 3-phenylheptanoate is 234.16 g/mol.
Where can I buy Ethyl 3-phenylheptanoate?
You can request a quote for Ethyl 3-phenylheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.