Pentyl phenylacetate
TL;DR: Pentyl phenylacetate (CAS 5137-52-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-phenylacetate
Also Known As: Amyl phenylacetate, Pentyl phenylacetate, pentyl 2-phenylacetate, Amylphenyl acetate, n-Amyl phenylacetate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
| Boiling Point | 266.00 to 269.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 5137-52-0 |
|---|---|
| SMILES | CCCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | LRVLBFSVAFUOGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl phenylacetate (CAS 5137-52-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: pentyl 2-phenylacetate.
Chemical Property Profile of Pentyl phenylacetate
Property Insights of Pentyl phenylacetate
The XLogP value of 3.7 indicates that Pentyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl phenylacetate has 0 hydrogen bond donor(s) and 2 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 phenylacetate?
The CAS number of Pentyl phenylacetate is 5137-52-0.
What is the molecular formula of Pentyl phenylacetate?
The molecular formula of Pentyl phenylacetate is C13H18O2.
What is the molecular weight of Pentyl phenylacetate?
The molecular weight of Pentyl phenylacetate is 206.13 g/mol.
Where can I buy Pentyl phenylacetate?
You can request a quote for Pentyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.