9-Decenyl benzoate
TL;DR: 9-Decenyl benzoate (CAS 94108-33-5) is a chemical compound with molecular formula C17H24O2 and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dec-9-enyl benzoate
Also Known As: 9-Decenyl benzoate, 9-Decen-1-ol, benzoate, 9-decenylbenzoate, dec-9-enyl benzoate, EINECS 302-372-2
| Molecular Formula | C17H24O2 |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 4.7601 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.17764 |
| Heavy Atoms | 19 |
| Complexity | 356.78464 |
Chemical Identifiers
| CAS Number | 94108-33-5 |
|---|---|
| SMILES | C=CCCCCCCCCOC(=O)C1=CC=CC=C1 |
Product Overview
9-Decenyl benzoate (CAS 94108-33-5), with molecular formula C17H24O2 and molecular weight 260.18 g/mol. IUPAC: dec-9-enyl benzoate.
Chemical Property Profile of 9-Decenyl benzoate
Property Insights of 9-Decenyl benzoate
The XLogP value of 4.7601 indicates that 9-Decenyl 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, 9-Decenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Decenyl 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 9-Decenyl benzoate?
The CAS number of 9-Decenyl benzoate is 94108-33-5.
What is the molecular formula of 9-Decenyl benzoate?
The molecular formula of 9-Decenyl benzoate is C17H24O2.
What is the molecular weight of 9-Decenyl benzoate?
The molecular weight of 9-Decenyl benzoate is 260.18 g/mol.
Where can I buy 9-Decenyl benzoate?
You can request a quote for 9-Decenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Decenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 9-Decenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.