1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-
TL;DR: 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- (CAS 596-28-1) is a chemical compound with molecular formula C20H14O6 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(3,4-dihydroxyphenyl)-2-benzofuran-1-one
Also Known As: Pyrocatecholphthlein, Pyrocatecholphthalein, Phthalide, 3,3-bis(3,4-dihydroxyphenyl)-, 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-, Phthalide,3-bis(3,4-dihydroxyphenyl)-
| Molecular Formula | C20H14O6 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.07904 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 596-28-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O |
| InChIKey | QPFLFTVMWJJXKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- (CAS 596-28-1), with molecular formula C20H14O6 and molecular weight 350.08 g/mol. IUPAC: 3,3-bis(3,4-dihydroxyphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-
Property Insights of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-
The XLogP value of 3.1 indicates that 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- has 4 hydrogen bond donor(s) and 6 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 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-?
The CAS number of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- is 596-28-1.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- is C20H14O6.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- is 350.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3,3-bis(3,4-dihydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.