4-Propylphenyl 4-hexanoyloxybenzoate
TL;DR: 4-Propylphenyl 4-hexanoyloxybenzoate (CAS 52811-80-0) 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.
(4-propylphenyl) 4-hexanoyloxybenzoate
Also Known As: 4-Propylphenyl 4-hexanoyloxybenzoate, 4-propylphenyl4-[oxy]benzoate, 4-propylphenyl4-[ oxy]benzoate, 4-Propylphenyl 4-((1-oxohexyl)oxy)benzoate, 4-Propylphenyl 4-[(1-oxohexyl)oxy]benzoate
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 52811-80-0 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC |
| InChIKey | KGYHDKQBNLIFKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propylphenyl 4-hexanoyloxybenzoate (CAS 52811-80-0), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: (4-propylphenyl) 4-hexanoyloxybenzoate.
Chemical Property Profile of 4-Propylphenyl 4-hexanoyloxybenzoate
Property Insights of 4-Propylphenyl 4-hexanoyloxybenzoate
The XLogP value of 6.3 indicates that 4-Propylphenyl 4-hexanoyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Propylphenyl 4-hexanoyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propylphenyl 4-hexanoyloxybenzoate 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 4-Propylphenyl 4-hexanoyloxybenzoate?
The CAS number of 4-Propylphenyl 4-hexanoyloxybenzoate is 52811-80-0.
What is the molecular formula of 4-Propylphenyl 4-hexanoyloxybenzoate?
The molecular formula of 4-Propylphenyl 4-hexanoyloxybenzoate is C22H26O4.
What is the molecular weight of 4-Propylphenyl 4-hexanoyloxybenzoate?
The molecular weight of 4-Propylphenyl 4-hexanoyloxybenzoate is 354.18 g/mol.
Where can I buy 4-Propylphenyl 4-hexanoyloxybenzoate?
You can request a quote for 4-Propylphenyl 4-hexanoyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propylphenyl 4-hexanoyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylphenyl 4-hexanoyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.