Phenyl 5-tert-butyl-2-hydroxybenzoate
TL;DR: Phenyl 5-tert-butyl-2-hydroxybenzoate (CAS 61658-78-4) 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.
phenyl 5-tert-butyl-2-hydroxybenzoate
Also Known As: phenyl 5-tert-butyl-2-hydroxybenzoate, TimTec1_002250, phenyl 5-(tert-butyl)-2-hydroxybenzoate, 5-tert-Butyl-2-hydroxy-benzoesaeure-phenylester, BRD-K61198876-001-01-2
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 61658-78-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)C(=O)OC2=CC=CC=C2 |
| InChIKey | VXAKYUAEEDTDNG-UHFFFAOYSA-N |
Product Overview
Phenyl 5-tert-butyl-2-hydroxybenzoate (CAS 61658-78-4), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: phenyl 5-tert-butyl-2-hydroxybenzoate.
Chemical Property Profile of Phenyl 5-tert-butyl-2-hydroxybenzoate
Property Insights of Phenyl 5-tert-butyl-2-hydroxybenzoate
The XLogP value of 5.5 indicates that Phenyl 5-tert-butyl-2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Phenyl 5-tert-butyl-2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 5-tert-butyl-2-hydroxybenzoate has 1 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 Phenyl 5-tert-butyl-2-hydroxybenzoate?
The CAS number of Phenyl 5-tert-butyl-2-hydroxybenzoate is 61658-78-4.
What is the molecular formula of Phenyl 5-tert-butyl-2-hydroxybenzoate?
The molecular formula of Phenyl 5-tert-butyl-2-hydroxybenzoate is C17H18O3.
What is the molecular weight of Phenyl 5-tert-butyl-2-hydroxybenzoate?
The molecular weight of Phenyl 5-tert-butyl-2-hydroxybenzoate is 270.13 g/mol.
Where can I buy Phenyl 5-tert-butyl-2-hydroxybenzoate?
You can request a quote for Phenyl 5-tert-butyl-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 5-tert-butyl-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 5-tert-butyl-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.