Amyl Benzoate
TL;DR: Amyl Benzoate (CAS 2049-96-9) 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.
pentyl benzoate
Also Known As: PENTYL BENZOATE, Amyl benzoate, n-Pentyl benzoate, n-Amyl benzoate, Benzoic acid, pentyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.4 |
| 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 | 2049-96-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | QKNZNUNCDJZTCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amyl Benzoate (CAS 2049-96-9), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: pentyl benzoate.
Chemical Property Profile of Amyl Benzoate
Property Insights of Amyl Benzoate
The XLogP value of 4.4 indicates that Amyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Amyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amyl Benzoate 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 Amyl Benzoate?
The CAS number of Amyl Benzoate is 2049-96-9.
What is the molecular formula of Amyl Benzoate?
The molecular formula of Amyl Benzoate is C12H16O2.
What is the molecular weight of Amyl Benzoate?
The molecular weight of Amyl Benzoate is 192.12 g/mol.
Where can I buy Amyl Benzoate?
You can request a quote for Amyl Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amyl Benzoate?
Yes, KEHONG BIO provides custom synthesis services for Amyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.