Phenyl hexanoate
TL;DR: Phenyl hexanoate (CAS 7780-16-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl hexanoate
Also Known As: Phenyl hexanoate, Phenyl caproate, Hexanoic acid, phenyl ester, phenylhexanoate, Caproicacidphenylester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 7780-16-7 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC=C1 |
| InChIKey | SOOXQKVMQBCEGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl hexanoate (CAS 7780-16-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: phenyl hexanoate.
Chemical Property Profile of Phenyl hexanoate
Property Insights of Phenyl hexanoate
The XLogP value of 3.6 indicates that Phenyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl hexanoate 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 Phenyl hexanoate?
The CAS number of Phenyl hexanoate is 7780-16-7.
What is the molecular formula of Phenyl hexanoate?
The molecular formula of Phenyl hexanoate is C12H16O2.
What is the molecular weight of Phenyl hexanoate?
The molecular weight of Phenyl hexanoate is 192.12 g/mol.
Where can I buy Phenyl hexanoate?
You can request a quote for Phenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.