Tert-butyl 3-phenoxybenzoate
TL;DR: Tert-butyl 3-phenoxybenzoate (CAS 98992-33-7) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-phenoxybenzoate
Also Known As: Tert-butyl 3-phenoxybenzoate
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 98992-33-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | WXGIEWPVCDDFTD-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-phenoxybenzoate (CAS 98992-33-7), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: tert-butyl 3-phenoxybenzoate.
Chemical Property Profile of Tert-butyl 3-phenoxybenzoate
Property Insights of Tert-butyl 3-phenoxybenzoate
The XLogP value of 5.2 indicates that Tert-butyl 3-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Tert-butyl 3-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-phenoxybenzoate 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 Tert-butyl 3-phenoxybenzoate?
The CAS number of Tert-butyl 3-phenoxybenzoate is 98992-33-7.
What is the molecular formula of Tert-butyl 3-phenoxybenzoate?
The molecular formula of Tert-butyl 3-phenoxybenzoate is C17H18O3.
What is the molecular weight of Tert-butyl 3-phenoxybenzoate?
The molecular weight of Tert-butyl 3-phenoxybenzoate is 270.13 g/mol.
Where can I buy Tert-butyl 3-phenoxybenzoate?
You can request a quote for Tert-butyl 3-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.