5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone
TL;DR: 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone (CAS 163489-63-2) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-ditert-butyl-3-hydroxy-3H-1-benzofuran-2-one
Also Known As: 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone, 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-, 5,7-di-tert-butyl-3-hydroxybenzofuranone, 5,7-di-t-butyl-3-hydroxybenzofuran-2-one, 5,7-di-tert-butyl-3-hydroxy-benzofuranone
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 3.234 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 530.15063 |
Chemical Identifiers
| CAS Number | 163489-63-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2O |
Product Overview
5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone (CAS 163489-63-2), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 5,7-ditert-butyl-3-hydroxy-3H-1-benzofuran-2-one.
Chemical Property Profile of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone
Property Insights of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone
The XLogP value of 3.234 indicates that 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone?
The CAS number of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone is 163489-63-2.
What is the molecular formula of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone?
The molecular formula of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone is C16H22O3.
What is the molecular weight of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone?
The molecular weight of 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone is 262.16 g/mol.
Where can I buy 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone?
You can request a quote for 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Di-tert-butyl-3-hydroxy-2-benzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.