4-Tert-butylphenyl benzoate
TL;DR: 4-Tert-butylphenyl benzoate (CAS 16523-03-8) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) benzoate
Also Known As: 4-tert-butylphenyl benzoate, (4-tert-butylphenyl) benzoate, p-t-butylphenyl benzoate, (4-TERT-BUTYLPHENYL)BENZOATE, 4-(tert-Butyl)phenyl benzoate
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 16523-03-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | OWZCLYMEMJOKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butylphenyl benzoate (CAS 16523-03-8), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: (4-tert-butylphenyl) benzoate.
Chemical Property Profile of 4-Tert-butylphenyl benzoate
Property Insights of 4-Tert-butylphenyl benzoate
The XLogP value of 5.3 indicates that 4-Tert-butylphenyl 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-Tert-butylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylphenyl 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-Tert-butylphenyl benzoate?
The CAS number of 4-Tert-butylphenyl benzoate is 16523-03-8.
What is the molecular formula of 4-Tert-butylphenyl benzoate?
The molecular formula of 4-Tert-butylphenyl benzoate is C17H18O2.
What is the molecular weight of 4-Tert-butylphenyl benzoate?
The molecular weight of 4-Tert-butylphenyl benzoate is 254.13 g/mol.
Where can I buy 4-Tert-butylphenyl benzoate?
You can request a quote for 4-Tert-butylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.