RefChem:408835
TL;DR: RefChem:408835 (CAS 62637-89-2) is a chemical compound with molecular formula C28H28Na2O4 and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-methyl-4-[1-(2-methyl-4-oxido-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-2-propan-2-ylphenolate
Also Known As: Thymolphthalein disodium salt, disodium 4,4'-(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[5-methyl-2-(propan-2-yl)phenolate], 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-, disodium salt, 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, disodium salt, Sodium 4,4'-(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-isopropyl-5-methylphenolate)
| Molecular Formula | C28H28Na2O4 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.17828 |
| Heavy Atoms | 34 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 62637-89-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)[O-])C(C)C)C(C)C)[O-].[Na+].[Na+] |
| InChIKey | WXIUSLCTZZEKKZ-UHFFFAOYSA-L |
Product Overview
RefChem:408835 (CAS 62637-89-2), with molecular formula C28H28Na2O4 and molecular weight 474.18 g/mol. IUPAC: disodium;5-methyl-4-[1-(2-methyl-4-oxido-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-2-propan-2-ylphenolate.
Chemical Property Profile of RefChem:408835
Property Insights of RefChem:408835
The XLogP value of -0.83 indicates that RefChem:408835 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 RefChem:408835. Following Lipinski's Rule of Five, RefChem:408835 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 RefChem:408835?
The CAS number of RefChem:408835 is 62637-89-2.
What is the molecular formula of RefChem:408835?
The molecular formula of RefChem:408835 is C28H28Na2O4.
What is the molecular weight of RefChem:408835?
The molecular weight of RefChem:408835 is 474.18 g/mol.
Where can I buy RefChem:408835?
You can request a quote for RefChem:408835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.