Benzoic acid, 3-phenoxy-, hexyl ester
TL;DR: Benzoic acid, 3-phenoxy-, hexyl ester (CAS 69200-14-2) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-phenoxybenzoate
Also Known As: hexyl 3-phenoxybenzoate, Gyki 14451, Benzoic acid, 3-phenoxy-, hexyl ester, m-Phenoxybenzoic acid hexyl ester, Benzoic acid,3-phenoxy-,hexyl ester
| Molecular Formula | C19H22O3 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.1569 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 69200-14-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | UKOBXVNVKQLMEH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-phenoxy-, hexyl ester (CAS 69200-14-2), with molecular formula C19H22O3 and molecular weight 298.16 g/mol. IUPAC: hexyl 3-phenoxybenzoate.
Chemical Property Profile of Benzoic acid, 3-phenoxy-, hexyl ester
Property Insights of Benzoic acid, 3-phenoxy-, hexyl ester
The XLogP value of 6.2 indicates that Benzoic acid, 3-phenoxy-, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 3-phenoxy-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-phenoxy-, hexyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-phenoxy-, hexyl ester?
The CAS number of Benzoic acid, 3-phenoxy-, hexyl ester is 69200-14-2.
What is the molecular formula of Benzoic acid, 3-phenoxy-, hexyl ester?
The molecular formula of Benzoic acid, 3-phenoxy-, hexyl ester is C19H22O3.
What is the molecular weight of Benzoic acid, 3-phenoxy-, hexyl ester?
The molecular weight of Benzoic acid, 3-phenoxy-, hexyl ester is 298.16 g/mol.
Where can I buy Benzoic acid, 3-phenoxy-, hexyl ester?
You can request a quote for Benzoic acid, 3-phenoxy-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-phenoxy-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-phenoxy-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.