Ethyl 3-hydroxy-3-phenylbutanoate
TL;DR: Ethyl 3-hydroxy-3-phenylbutanoate (CAS 26072-85-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-3-phenylbutanoate
Also Known As: ethyl 3-hydroxy-3-phenylbutanoate, ethyl 3-hydroxy-3-phenylbutyrate, ethyl3-hydroxy-3-phenylbutanoate, ethyl 3-hydroxy-3-phenyl-butanoate, 3-Hydroxy-3-phenyl-buttersaeure-aethylester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 26072-85-5 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C1=CC=CC=C1)O |
| InChIKey | RBHSZNSXPDPHSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-3-phenylbutanoate (CAS 26072-85-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl 3-hydroxy-3-phenylbutanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-phenylbutanoate
Property Insights of Ethyl 3-hydroxy-3-phenylbutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-phenylbutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-phenylbutanoate 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-phenylbutanoate?
The CAS number of Ethyl 3-hydroxy-3-phenylbutanoate is 26072-85-5.
What is the molecular formula of Ethyl 3-hydroxy-3-phenylbutanoate?
The molecular formula of Ethyl 3-hydroxy-3-phenylbutanoate is C12H16O3.
What is the molecular weight of Ethyl 3-hydroxy-3-phenylbutanoate?
The molecular weight of Ethyl 3-hydroxy-3-phenylbutanoate is 208.11 g/mol.
Where can I buy Ethyl 3-hydroxy-3-phenylbutanoate?
You can request a quote for Ethyl 3-hydroxy-3-phenylbutanoate 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-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.