Heptyl 2-phenoxyacetate
TL;DR: Heptyl 2-phenoxyacetate (CAS 79239-83-1) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-phenoxyacetate
Also Known As: heptyl 2-phenoxyacetate, Heptyl phenoxyacetate, heptyl 2-(phenoxy)acetate, Phenoxyacetic acid heptyl ester, J2.159.035E
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 79239-83-1 |
|---|---|
| SMILES | CCCCCCCOC(=O)COC1=CC=CC=C1 |
| InChIKey | NDKOSTWDFLFUOX-UHFFFAOYSA-N |
Product Overview
Heptyl 2-phenoxyacetate (CAS 79239-83-1), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: heptyl 2-phenoxyacetate.
Chemical Property Profile of Heptyl 2-phenoxyacetate
Property Insights of Heptyl 2-phenoxyacetate
The XLogP value of 4.7 indicates that Heptyl 2-phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Heptyl 2-phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 2-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 Heptyl 2-phenoxyacetate?
The CAS number of Heptyl 2-phenoxyacetate is 79239-83-1.
What is the molecular formula of Heptyl 2-phenoxyacetate?
The molecular formula of Heptyl 2-phenoxyacetate is C15H22O3.
What is the molecular weight of Heptyl 2-phenoxyacetate?
The molecular weight of Heptyl 2-phenoxyacetate is 250.16 g/mol.
Where can I buy Heptyl 2-phenoxyacetate?
You can request a quote for Heptyl 2-phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.