Propyl 2-hydroxy-2-phenylacetate
TL;DR: Propyl 2-hydroxy-2-phenylacetate (CAS 62500-91-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-hydroxy-2-phenylacetate
Also Known As: propyl 2-hydroxy-2-phenylacetate, Mandelsaeure-propylester, propyl hydroxy(phenyl)acetate, propyl2-hydroxy-2-phenylacetate, propyl 2-hydroxy-2-phenyl-acetate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 62500-91-8 |
|---|---|
| SMILES | CCCOC(=O)C(C1=CC=CC=C1)O |
| InChIKey | MKZJVQWJKDMCKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-hydroxy-2-phenylacetate (CAS 62500-91-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: propyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Propyl 2-hydroxy-2-phenylacetate
Property Insights of Propyl 2-hydroxy-2-phenylacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-hydroxy-2-phenylacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Propyl 2-hydroxy-2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-hydroxy-2-phenylacetate 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 Propyl 2-hydroxy-2-phenylacetate?
The CAS number of Propyl 2-hydroxy-2-phenylacetate is 62500-91-8.
What is the molecular formula of Propyl 2-hydroxy-2-phenylacetate?
The molecular formula of Propyl 2-hydroxy-2-phenylacetate is C11H14O3.
What is the molecular weight of Propyl 2-hydroxy-2-phenylacetate?
The molecular weight of Propyl 2-hydroxy-2-phenylacetate is 194.09 g/mol.
Where can I buy Propyl 2-hydroxy-2-phenylacetate?
You can request a quote for Propyl 2-hydroxy-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-hydroxy-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-hydroxy-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.