Pentyl hydroxy(phenyl)acetate
TL;DR: Pentyl hydroxy(phenyl)acetate (CAS 20309-57-3) 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.
pentyl 2-hydroxy-2-phenylacetate
Also Known As: pentyl mandelate, Pentyl hydroxy(phenyl)acetate, pentyl 2-hydroxy-2-phenylacetate, Pentyl hydroxy(phenyl)acetate #, Phenylhydroxyacetic acid pentyl ester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 20309-57-3 |
|---|---|
| SMILES | CCCCCOC(=O)C(C1=CC=CC=C1)O |
| InChIKey | NGKXTAOKHBDGFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl hydroxy(phenyl)acetate (CAS 20309-57-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: pentyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Pentyl hydroxy(phenyl)acetate
Property Insights of Pentyl hydroxy(phenyl)acetate
The XLogP value of 3.0 indicates that Pentyl hydroxy(phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Pentyl hydroxy(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl hydroxy(phenyl)acetate 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 Pentyl hydroxy(phenyl)acetate?
The CAS number of Pentyl hydroxy(phenyl)acetate is 20309-57-3.
What is the molecular formula of Pentyl hydroxy(phenyl)acetate?
The molecular formula of Pentyl hydroxy(phenyl)acetate is C13H18O3.
What is the molecular weight of Pentyl hydroxy(phenyl)acetate?
The molecular weight of Pentyl hydroxy(phenyl)acetate is 222.13 g/mol.
Where can I buy Pentyl hydroxy(phenyl)acetate?
You can request a quote for Pentyl hydroxy(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl hydroxy(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl hydroxy(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.