1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt
TL;DR: 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt (CAS 62654-08-4) is a chemical compound with molecular formula C22H16Na2O4 and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[(3-methyl-4-oxidophenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Also Known As: 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt, 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, sodium salt (1:2), Benzoic acid, 2-[(4-hydroxy-3-methylphenyl)(3-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, disodium salt, RefChem:211681
| Molecular Formula | C22H16Na2O4 |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | -3.67 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.0844 |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 62654-08-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=CC(=C(C=C2)[O-])C)C3=CC=CC=C3C(=O)[O-])C=CC1=O.[Na+].[Na+] |
| InChIKey | UIWCQXUBZDWHLB-UHFFFAOYSA-L |
Product Overview
1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt (CAS 62654-08-4), with molecular formula C22H16Na2O4 and molecular weight 390.08 g/mol. IUPAC: disodium;2-[(3-methyl-4-oxidophenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate.
Chemical Property Profile of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt
Property Insights of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt
The XLogP value of -3.67 indicates that 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt. Following Lipinski's Rule of Five, 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, 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-hydroxy-3-methylphenyl)-, disodium salt?
The CAS number of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt is 62654-08-4.
What is the molecular formula of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt?
The molecular formula of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt is C22H16Na2O4.
What is the molecular weight of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt?
The molecular weight of 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt is 390.08 g/mol.
Where can I buy 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt?
You can request a quote for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, 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-hydroxy-3-methylphenyl)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.