2-Propylheptyl benzoate
TL;DR: 2-Propylheptyl benzoate (CAS 685533-02-2) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylheptyl benzoate
Also Known As: 2-propylheptyl benzoate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 685533-02-2 |
|---|---|
| SMILES | CCCCCC(CCC)COC(=O)C1=CC=CC=C1 |
| InChIKey | OKGUXCUCCABSEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propylheptyl benzoate (CAS 685533-02-2), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: 2-propylheptyl benzoate.
Chemical Property Profile of 2-Propylheptyl benzoate
Property Insights of 2-Propylheptyl benzoate
The XLogP value of 6.0 indicates that 2-Propylheptyl 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, 2-Propylheptyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylheptyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propylheptyl benzoate?
The CAS number of 2-Propylheptyl benzoate is 685533-02-2.
What is the molecular formula of 2-Propylheptyl benzoate?
The molecular formula of 2-Propylheptyl benzoate is C17H26O2.
What is the molecular weight of 2-Propylheptyl benzoate?
The molecular weight of 2-Propylheptyl benzoate is 262.19 g/mol.
Where can I buy 2-Propylheptyl benzoate?
You can request a quote for 2-Propylheptyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylheptyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylheptyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.