Benzoic acid, 4-benzoyl-, butyl ester
TL;DR: Benzoic acid, 4-benzoyl-, butyl ester (CAS 67055-68-9) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-benzoylbenzoate
Also Known As: Butyl 4-benzoylbenzoate, butyl4-benzoylbenzoate, Benzoic acid, 4-benzoyl-, butyl ester, 4-Benzoylbenzoic acid butyl ester, Piperazine-1,4-bis(2-hydroxypropanesulfonic acid) dihydrate
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 67055-68-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | JCRFJXHYVBFWRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-benzoyl-, butyl ester (CAS 67055-68-9), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: butyl 4-benzoylbenzoate.
Chemical Property Profile of Benzoic acid, 4-benzoyl-, butyl ester
Property Insights of Benzoic acid, 4-benzoyl-, butyl ester
The XLogP value of 5.2 indicates that Benzoic acid, 4-benzoyl-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 4-benzoyl-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-benzoyl-, butyl 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, 4-benzoyl-, butyl ester?
The CAS number of Benzoic acid, 4-benzoyl-, butyl ester is 67055-68-9.
What is the molecular formula of Benzoic acid, 4-benzoyl-, butyl ester?
The molecular formula of Benzoic acid, 4-benzoyl-, butyl ester is C18H18O3.
What is the molecular weight of Benzoic acid, 4-benzoyl-, butyl ester?
The molecular weight of Benzoic acid, 4-benzoyl-, butyl ester is 282.13 g/mol.
Where can I buy Benzoic acid, 4-benzoyl-, butyl ester?
You can request a quote for Benzoic acid, 4-benzoyl-, butyl 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, 4-benzoyl-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-benzoyl-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.