Ethyl 3-hydroxy-3-phenylpentanoate
TL;DR: Ethyl 3-hydroxy-3-phenylpentanoate (CAS 2293-61-0) 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 3-hydroxy-3-phenylpentanoate
Also Known As: ethyl 3-hydroxy-3-phenylpentanoate, Hydrocinnamic acid, ethyl ester, Benzenepropanoic acid, ethyl ester, 3-Hydroxy-3-phenylpentanoic acid ethyl ester, J1.868.740B
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2293-61-0 |
|---|---|
| SMILES | CCC(CC(=O)OCC)(C1=CC=CC=C1)O |
| InChIKey | WKBGTIFZVCWOHH-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxy-3-phenylpentanoate (CAS 2293-61-0), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: ethyl 3-hydroxy-3-phenylpentanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-phenylpentanoate
Property Insights of Ethyl 3-hydroxy-3-phenylpentanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-phenylpentanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-phenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-phenylpentanoate has 1 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 3-hydroxy-3-phenylpentanoate?
The CAS number of Ethyl 3-hydroxy-3-phenylpentanoate is 2293-61-0.
What is the molecular formula of Ethyl 3-hydroxy-3-phenylpentanoate?
The molecular formula of Ethyl 3-hydroxy-3-phenylpentanoate is C13H18O3.
What is the molecular weight of Ethyl 3-hydroxy-3-phenylpentanoate?
The molecular weight of Ethyl 3-hydroxy-3-phenylpentanoate is 222.13 g/mol.
Where can I buy Ethyl 3-hydroxy-3-phenylpentanoate?
You can request a quote for Ethyl 3-hydroxy-3-phenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-phenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.