Ethyl 5-phenoxypentanoate
TL;DR: Ethyl 5-phenoxypentanoate (CAS 69687-95-2) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenoxypentanoate
Also Known As: Ethyl 5-phenoxypentanoate, 5-Phenoxypentanoicacidethylester, Ethyl 5-phenoxypentanoate #, 5-Phenoxypentanoic acid ethyl ester, Pentanoic acid, 5-phenoxy-, ethyl ester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 69687-95-2 |
|---|---|
| SMILES | CCOC(=O)CCCCOC1=CC=CC=C1 |
| InChIKey | DNCNZDFEQZJZEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-phenoxypentanoate (CAS 69687-95-2), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: ethyl 5-phenoxypentanoate.
Chemical Property Profile of Ethyl 5-phenoxypentanoate
Property Insights of Ethyl 5-phenoxypentanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-phenoxypentanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 5-phenoxypentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-phenoxypentanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 5-phenoxypentanoate?
The CAS number of Ethyl 5-phenoxypentanoate is 69687-95-2.
What is the molecular formula of Ethyl 5-phenoxypentanoate?
The molecular formula of Ethyl 5-phenoxypentanoate is C13H18O3.
What is the molecular weight of Ethyl 5-phenoxypentanoate?
The molecular weight of Ethyl 5-phenoxypentanoate is 222.13 g/mol.
Where can I buy Ethyl 5-phenoxypentanoate?
You can request a quote for Ethyl 5-phenoxypentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-phenoxypentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-phenoxypentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.