3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one
TL;DR: 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one (CAS 6955-46-0) is a chemical compound with molecular formula C20H14O8 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1-one
Also Known As: 3,3-bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one, 3,3-bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3,3-bis(2,4,6-trihydroxyphenyl)-
| Molecular Formula | C20H14O8 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.06888 |
| Heavy Atoms | 28 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 6955-46-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=C(C=C(C=C3O)O)O)C4=C(C=C(C=C4O)O)O |
| InChIKey | ZUGLDTRWGGVARV-UHFFFAOYSA-N |
Product Overview
3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one (CAS 6955-46-0), with molecular formula C20H14O8 and molecular weight 382.07 g/mol. IUPAC: 3,3-bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one
Property Insights of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one. The TPSA of 148.0 Ų indicates high polarity, suggesting 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-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-trihydroxyphenyl)-2-benzofuran-1(3h)-one?
The CAS number of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one is 6955-46-0.
What is the molecular formula of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one?
The molecular formula of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one is C20H14O8.
What is the molecular weight of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one?
The molecular weight of 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one is 382.07 g/mol.
Where can I buy 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one?
You can request a quote for 3,3-Bis(2,4,6-trihydroxyphenyl)-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(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(2,4,6-trihydroxyphenyl)-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.