6-(Benzoyloxy)-2-ethylhexyl benzoate
TL;DR: 6-(Benzoyloxy)-2-ethylhexyl benzoate (CAS 25724-54-3) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzoyloxymethyl)heptyl benzoate
Also Known As: Benzoic acid, 2-ethylhexanediol diester, HEXANEDIOL, 2-ETHYL-, DIBENZOATE, Dibenzoicacid2-ethylhexamethyleneester, 5-(benzoyloxymethyl)heptyl benzoate, 5-[(benzoyloxy)methyl]heptyl benzoate
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 25724-54-3 |
|---|---|
| SMILES | CCC(CCCCOC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 |
| InChIKey | CVQOBYGTHWIAGJ-UHFFFAOYSA-N |
Product Overview
6-(Benzoyloxy)-2-ethylhexyl benzoate (CAS 25724-54-3), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: 5-(benzoyloxymethyl)heptyl benzoate.
Chemical Property Profile of 6-(Benzoyloxy)-2-ethylhexyl benzoate
Property Insights of 6-(Benzoyloxy)-2-ethylhexyl benzoate
The XLogP value of 5.5 indicates that 6-(Benzoyloxy)-2-ethylhexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 6-(Benzoyloxy)-2-ethylhexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzoyloxy)-2-ethylhexyl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(Benzoyloxy)-2-ethylhexyl benzoate?
The CAS number of 6-(Benzoyloxy)-2-ethylhexyl benzoate is 25724-54-3.
What is the molecular formula of 6-(Benzoyloxy)-2-ethylhexyl benzoate?
The molecular formula of 6-(Benzoyloxy)-2-ethylhexyl benzoate is C22H26O4.
What is the molecular weight of 6-(Benzoyloxy)-2-ethylhexyl benzoate?
The molecular weight of 6-(Benzoyloxy)-2-ethylhexyl benzoate is 354.18 g/mol.
Where can I buy 6-(Benzoyloxy)-2-ethylhexyl benzoate?
You can request a quote for 6-(Benzoyloxy)-2-ethylhexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzoyloxy)-2-ethylhexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzoyloxy)-2-ethylhexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.