Phenyl heptanoate
TL;DR: Phenyl heptanoate (CAS 56052-14-3) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl heptanoate
Also Known As: Phenyl heptanoate, phenylheptanoate, Heptanoic acid, phenyl ester, Phenyl heptanoate #, Heptanoic acid phenyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 56052-14-3 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=CC=C1 |
| InChIKey | USVUMWSMZMQXIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl heptanoate (CAS 56052-14-3), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: phenyl heptanoate.
Chemical Property Profile of Phenyl heptanoate
Property Insights of Phenyl heptanoate
The XLogP value of 4.1 indicates that Phenyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl heptanoate 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 heptanoate?
The CAS number of Phenyl heptanoate is 56052-14-3.
What is the molecular formula of Phenyl heptanoate?
The molecular formula of Phenyl heptanoate is C13H18O2.
What is the molecular weight of Phenyl heptanoate?
The molecular weight of Phenyl heptanoate is 206.13 g/mol.
Where can I buy Phenyl heptanoate?
You can request a quote for Phenyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.