3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one
TL;DR: 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one (CAS 3689-45-0) is a chemical compound with molecular formula C24H22O4 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1-one
Also Known As: J1.123.198E, 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1-one, 3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)isobenzofuran-1-one, 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one, 3,3-bis-(4-hydroxy-3,5-dimethylphenyl)-1-(3H)-isobenzofuranone
| Molecular Formula | C24H22O4 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1518 |
| Heavy Atoms | 28 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 3689-45-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)C |
| InChIKey | ZSHACGOQVYVSDO-UHFFFAOYSA-N |
Product Overview
3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one (CAS 3689-45-0), with molecular formula C24H22O4 and molecular weight 374.15 g/mol. IUPAC: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one
Property Insights of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one
The XLogP value of 5.1 indicates that 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one?
The CAS number of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one is 3689-45-0.
What is the molecular formula of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one?
The molecular formula of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one is C24H22O4.
What is the molecular weight of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one?
The molecular weight of 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one is 374.15 g/mol.
Where can I buy 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one?
You can request a quote for 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.