Benzyl pentanoate
TL;DR: Benzyl pentanoate (CAS 10361-39-4) 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.
benzyl pentanoate
Also Known As: Benzyl valerate, Benzyl pentanoate, Benzyl n-valerate, Benzyanyl, benzylvalerianat
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.4 |
| 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 | 10361-39-4 |
|---|---|
| SMILES | CCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | YZJCDVRXBOPXSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl pentanoate (CAS 10361-39-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: benzyl pentanoate.
Chemical Property Profile of Benzyl pentanoate
Property Insights of Benzyl pentanoate
The XLogP value of 3.4 indicates that Benzyl 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, Benzyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl pentanoate?
The CAS number of Benzyl pentanoate is 10361-39-4.
What is the molecular formula of Benzyl pentanoate?
The molecular formula of Benzyl pentanoate is C12H16O2.
What is the molecular weight of Benzyl pentanoate?
The molecular weight of Benzyl pentanoate is 192.12 g/mol.
Where can I buy Benzyl pentanoate?
You can request a quote for Benzyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.