5,7-di-tert-butyl-3H-benzofuran-2-one
TL;DR: 5,7-di-tert-butyl-3H-benzofuran-2-one (CAS 62743-93-5) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-ditert-butyl-3H-1-benzofuran-2-one
Also Known As: 5,7-ditert-butyl-3H-benzofuran-2-one, 5,7-di-tert-butyl-3H-benzofuran-2-one, 5,7-di-tert-butylbenzofuran-2(3H)-one, 5,7-ditert-butyl-3H-1-benzofuran-2-one, InChI=1/C16H22O2/c1-15(2,3)11-7-10-8-13(17)18-14(10)12(9-11)16(4,5)6/h7,9H,8H2,1-6H
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 3.7431 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 499.05386 |
Chemical Identifiers
| CAS Number | 62743-93-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2 |
Product Overview
5,7-di-tert-butyl-3H-benzofuran-2-one (CAS 62743-93-5), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: 5,7-ditert-butyl-3H-1-benzofuran-2-one.
Chemical Property Profile of 5,7-di-tert-butyl-3H-benzofuran-2-one
Property Insights of 5,7-di-tert-butyl-3H-benzofuran-2-one
The XLogP value of 3.7431 indicates that 5,7-di-tert-butyl-3H-benzofuran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5,7-di-tert-butyl-3H-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-di-tert-butyl-3H-benzofuran-2-one has 0 hydrogen bond donor(s) and 2 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-3H-benzofuran-2-one?
The CAS number of 5,7-di-tert-butyl-3H-benzofuran-2-one is 62743-93-5.
What is the molecular formula of 5,7-di-tert-butyl-3H-benzofuran-2-one?
The molecular formula of 5,7-di-tert-butyl-3H-benzofuran-2-one is C16H22O2.
What is the molecular weight of 5,7-di-tert-butyl-3H-benzofuran-2-one?
The molecular weight of 5,7-di-tert-butyl-3H-benzofuran-2-one is 246.16 g/mol.
Where can I buy 5,7-di-tert-butyl-3H-benzofuran-2-one?
You can request a quote for 5,7-di-tert-butyl-3H-benzofuran-2-one 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-3H-benzofuran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-di-tert-butyl-3H-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.