Iodophthalein Sodium
TL;DR: Iodophthalein Sodium (CAS 2217-44-9) is a chemical compound with molecular formula C20H8I4Na2O4 and molecular weight 865.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[(3,5-diiodo-4-oxidophenyl)-(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Also Known As: Iodophthalein sodium, Iodotetragnost, Iodtetragnost, Cholepulvis, Iodorayoral
| Molecular Formula | C20H8I4Na2O4 |
|---|---|
| Molecular Weight | 865.64 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 865.6397 |
| Heavy Atoms | 30 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 2217-44-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=C2C=C(C(=O)C(=C2)I)I)C3=CC(=C(C(=C3)I)[O-])I)C(=O)[O-].[Na+].[Na+] |
| InChIKey | CWHBCTLVWOCMPQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodophthalein Sodium (CAS 2217-44-9), with molecular formula C20H8I4Na2O4 and molecular weight 865.64 g/mol. IUPAC: disodium;2-[(3,5-diiodo-4-oxidophenyl)-(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate.
Chemical Property Profile of Iodophthalein Sodium
Property Insights of Iodophthalein Sodium
The XLogP value of -1.64 indicates that Iodophthalein Sodium 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 Iodophthalein Sodium. Following Lipinski's Rule of Five, Iodophthalein Sodium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodophthalein Sodium?
The CAS number of Iodophthalein Sodium is 2217-44-9.
What is the molecular formula of Iodophthalein Sodium?
The molecular formula of Iodophthalein Sodium is C20H8I4Na2O4.
What is the molecular weight of Iodophthalein Sodium?
The molecular weight of Iodophthalein Sodium is 865.64 g/mol.
Where can I buy Iodophthalein Sodium?
You can request a quote for Iodophthalein Sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodophthalein Sodium?
Yes, KEHONG BIO provides custom synthesis services for Iodophthalein Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.