4-Nonylphenyl benzoate
TL;DR: 4-Nonylphenyl benzoate (CAS 70033-59-9) is a chemical compound with molecular formula C22H28O2 and molecular weight 324.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nonylphenyl) benzoate
Also Known As: 4-nonylphenyl benzoate, (4-nonylphenyl)benzoate, p-nonylphenyl benzoate, (4-nonylphenyl) benzoate, Benzoic acid 4-nonylphenyl ester
| Molecular Formula | C22H28O2 |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.20892 |
| Heavy Atoms | 24 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 70033-59-9 |
|---|---|
| SMILES | CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | UHNDOFZFNNZFIW-UHFFFAOYSA-N |
Product Overview
4-Nonylphenyl benzoate (CAS 70033-59-9), with molecular formula C22H28O2 and molecular weight 324.21 g/mol. IUPAC: (4-nonylphenyl) benzoate.
Chemical Property Profile of 4-Nonylphenyl benzoate
Property Insights of 4-Nonylphenyl benzoate
The XLogP value of 8.2 indicates that 4-Nonylphenyl 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, 4-Nonylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nonylphenyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nonylphenyl benzoate?
The CAS number of 4-Nonylphenyl benzoate is 70033-59-9.
What is the molecular formula of 4-Nonylphenyl benzoate?
The molecular formula of 4-Nonylphenyl benzoate is C22H28O2.
What is the molecular weight of 4-Nonylphenyl benzoate?
The molecular weight of 4-Nonylphenyl benzoate is 324.21 g/mol.
Where can I buy 4-Nonylphenyl benzoate?
You can request a quote for 4-Nonylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nonylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nonylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.