Pentyl phenoxyacetate
TL;DR: Pentyl phenoxyacetate (CAS 74525-52-3) 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-phenoxyacetate
Also Known As: Pentyl phenoxyacetate, pentyl 2-phenoxyacetate, Amyl phenoxyacetate, pentylphenoxyacetate, Phenoxyacetic acid pentyl ester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.7988 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 295.30585 |
Chemical Identifiers
| CAS Number | 74525-52-3 |
|---|---|
| SMILES | CCCCCOC(=O)COC1=CC=CC=C1 |
Product Overview
Pentyl phenoxyacetate (CAS 74525-52-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: pentyl 2-phenoxyacetate.
Chemical Property Profile of Pentyl phenoxyacetate
Property Insights of Pentyl phenoxyacetate
The XLogP value of 2.7988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl phenoxyacetate. With a topological polar surface area (TPSA) of 35.53 Ų, Pentyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl phenoxyacetate has 0 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 phenoxyacetate?
The CAS number of Pentyl phenoxyacetate is 74525-52-3.
What is the molecular formula of Pentyl phenoxyacetate?
The molecular formula of Pentyl phenoxyacetate is C13H18O3.
What is the molecular weight of Pentyl phenoxyacetate?
The molecular weight of Pentyl phenoxyacetate is 222.13 g/mol.
Where can I buy Pentyl phenoxyacetate?
You can request a quote for Pentyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.