3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one
TL;DR: 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one (CAS 6955-48-2) is a chemical compound with molecular formula C22H18O8 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one
Also Known As: 3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one, 3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1(3h)-one, 1(3H)-Isobenzofuranone,3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-
| Molecular Formula | C22H18O8 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.10016 |
| Heavy Atoms | 30 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 6955-48-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1O)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C(=C4O)C)O)O)O |
| InChIKey | HUZAMYGJSMPZHO-UHFFFAOYSA-N |
Product Overview
3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one (CAS 6955-48-2), with molecular formula C22H18O8 and molecular weight 410.10 g/mol. IUPAC: 3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one
Property Insights of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one. The TPSA of 148.0 Ų indicates high polarity, suggesting 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one has 6 hydrogen bond donor(s) and 8 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(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one?
The CAS number of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one is 6955-48-2.
What is the molecular formula of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one?
The molecular formula of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one is C22H18O8.
What is the molecular weight of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one?
The molecular weight of 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one is 410.10 g/mol.
Where can I buy 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one?
You can request a quote for 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-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(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.