1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt
TL;DR: 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt (CAS 518-51-4) is a chemical compound with molecular formula C20H12Na2O4 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[1-(4-oxidophenyl)-3-oxo-2-benzofuran-1-yl]phenolate
Also Known As: Phenolphthalein Disodium Salt, Phenolphthalein sodium, Phenolphthalein (disodium), phenolphthalein sodium salt, Phenolphthalein Disodium Salt (>90%)
| Molecular Formula | C20H12Na2O4 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0531 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 518-51-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)[O-])C4=CC=C(C=C4)[O-].[Na+].[Na+] |
| InChIKey | GCZXTTJWUAJLNQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt (CAS 518-51-4), with molecular formula C20H12Na2O4 and molecular weight 362.05 g/mol. IUPAC: disodium;4-[1-(4-oxidophenyl)-3-oxo-2-benzofuran-1-yl]phenolate.
Chemical Property Profile of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt
Property Insights of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt
The XLogP value of -3.7 indicates that 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt. Following Lipinski's Rule of Five, 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt has 0 hydrogen bond donor(s) and 4 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(4-hydroxyphenyl)-, disodium salt?
The CAS number of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt is 518-51-4.
What is the molecular formula of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt?
The molecular formula of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt is C20H12Na2O4.
What is the molecular weight of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt?
The molecular weight of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt is 362.05 g/mol.
Where can I buy 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt?
You can request a quote for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt 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(4-hydroxyphenyl)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.