4-Carboxyphenyl 4-(hexyloxy)benzoate
TL;DR: 4-Carboxyphenyl 4-(hexyloxy)benzoate (CAS 52899-68-0) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hexoxybenzoyl)oxybenzoic acid
Also Known As: 4-((4-(Hexyloxy)benzoyl)oxy)benzoic acid, 4-(4-Hexyloxybenzoyloxy)benzoic acid, 4-(4-hexoxybenzoyl)oxybenzoic acid, 4- BENZOICACID, 4-carboxyphenyl 4-hexyloxybenzoate
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 52899-68-0 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O |
| InChIKey | VQLWORYWCJWAAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Carboxyphenyl 4-(hexyloxy)benzoate (CAS 52899-68-0), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: 4-(4-hexoxybenzoyl)oxybenzoic acid.
Chemical Property Profile of 4-Carboxyphenyl 4-(hexyloxy)benzoate
Property Insights of 4-Carboxyphenyl 4-(hexyloxy)benzoate
The XLogP value of 5.2 indicates that 4-Carboxyphenyl 4-(hexyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxyphenyl 4-(hexyloxy)benzoate. Following Lipinski's Rule of Five, 4-Carboxyphenyl 4-(hexyloxy)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Carboxyphenyl 4-(hexyloxy)benzoate?
The CAS number of 4-Carboxyphenyl 4-(hexyloxy)benzoate is 52899-68-0.
What is the molecular formula of 4-Carboxyphenyl 4-(hexyloxy)benzoate?
The molecular formula of 4-Carboxyphenyl 4-(hexyloxy)benzoate is C20H22O5.
What is the molecular weight of 4-Carboxyphenyl 4-(hexyloxy)benzoate?
The molecular weight of 4-Carboxyphenyl 4-(hexyloxy)benzoate is 342.15 g/mol.
Where can I buy 4-Carboxyphenyl 4-(hexyloxy)benzoate?
You can request a quote for 4-Carboxyphenyl 4-(hexyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxyphenyl 4-(hexyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxyphenyl 4-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.