Propyl phenoxyacetate
TL;DR: Propyl phenoxyacetate (CAS 6951-88-8) 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-phenoxyacetate
Also Known As: propyl phenoxyacetate, n-propyl phenoxyacetate, propyl 2-phenoxyacetate, Phenoxyacetic acid propyl ester, Benzoic acid,2-ethoxy-, ethyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 6951-88-8 |
|---|---|
| SMILES | CCCOC(=O)COC1=CC=CC=C1 |
| InChIKey | QOUKSTJONOWRTR-UHFFFAOYSA-N |
Product Overview
Propyl phenoxyacetate (CAS 6951-88-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: propyl 2-phenoxyacetate.
Chemical Property Profile of Propyl phenoxyacetate
Property Insights of Propyl phenoxyacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl phenoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Propyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl phenoxyacetate?
The CAS number of Propyl phenoxyacetate is 6951-88-8.
What is the molecular formula of Propyl phenoxyacetate?
The molecular formula of Propyl phenoxyacetate is C11H14O3.
What is the molecular weight of Propyl phenoxyacetate?
The molecular weight of Propyl phenoxyacetate is 194.09 g/mol.
Where can I buy Propyl phenoxyacetate?
You can request a quote for Propyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.