Phenyl pentanoate
TL;DR: Phenyl pentanoate (CAS 20115-23-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl pentanoate
Also Known As: Phenyl valerate, PHENYL PENTANOATE, phenylvalerate, Valeric acid, Pentanoic acid, phenyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 20115-23-5 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=CC=C1 |
| InChIKey | MVIMPQVBUPCHEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl pentanoate (CAS 20115-23-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: phenyl pentanoate.
Chemical Property Profile of Phenyl pentanoate
Property Insights of Phenyl pentanoate
The XLogP value of 3.3 indicates that Phenyl pentanoate 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 pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl pentanoate 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 pentanoate?
The CAS number of Phenyl pentanoate is 20115-23-5.
What is the molecular formula of Phenyl pentanoate?
The molecular formula of Phenyl pentanoate is C11H14O2.
What is the molecular weight of Phenyl pentanoate?
The molecular weight of Phenyl pentanoate is 178.10 g/mol.
Where can I buy Phenyl pentanoate?
You can request a quote for Phenyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.