Heptyl phenylacetate
TL;DR: Heptyl phenylacetate (CAS 39736-25-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-phenylacetate
Also Known As: Heptyl phenylacetate, heptyl 2-phenylacetate, Heptylphenyl acetate, Benzeneacetic acid, heptyl ester, HEPTYLPHENYLACETATE
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 39736-25-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | MFCMCQJYPOAXCB-UHFFFAOYSA-N |
Product Overview
Heptyl phenylacetate (CAS 39736-25-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: heptyl 2-phenylacetate.
Chemical Property Profile of Heptyl phenylacetate
Property Insights of Heptyl phenylacetate
The XLogP value of 4.8 indicates that Heptyl 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, Heptyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl phenylacetate?
The CAS number of Heptyl phenylacetate is 39736-25-9.
What is the molecular formula of Heptyl phenylacetate?
The molecular formula of Heptyl phenylacetate is C15H22O2.
What is the molecular weight of Heptyl phenylacetate?
The molecular weight of Heptyl phenylacetate is 234.16 g/mol.
Where can I buy Heptyl phenylacetate?
You can request a quote for Heptyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.