Rose bengal potassium I-131
TL;DR: Rose bengal potassium I-131 (CAS 39989-37-2) is a chemical compound with molecular formula C20H2Cl4I4K2O5 and molecular weight 1063.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetra(131I)iodo-3-oxido-6-oxoxanthen-9-yl)(131I4)benzoate
Also Known As: Rose bengale, Rose bengal potassium I-131, ROSE BENGAL I 131, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetra(iodo-131I)-, dipotassium salt, dipotassium 2,3,4,5-tetrachloro-6-[2,4,5,7-tetrakis(iodanyl)-3-oxido-6-oxoxanthen-9-yl]benzoate
| Molecular Formula | C20H2Cl4I4K2O5 |
|---|---|
| Molecular Weight | 1063.42 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 1065.4146 |
| Heavy Atoms | 35 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 39989-37-2 |
|---|---|
| SMILES | C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1[131I])[O-])[131I])[131I])[131I])C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[K+].[K+] |
| InChIKey | AZJPTIGZZTZIDR-SZIYIJPFSA-L |
Product Overview
Rose bengal potassium I-131 (CAS 39989-37-2), with molecular formula C20H2Cl4I4K2O5 and molecular weight 1063.42 g/mol. IUPAC: dipotassium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetra(131I)iodo-3-oxido-6-oxoxanthen-9-yl)(131I4)benzoate.
Chemical Property Profile of Rose bengal potassium I-131
Property Insights of Rose bengal potassium I-131
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rose bengal potassium I-131. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Rose bengal potassium I-131. Following Lipinski's Rule of Five, Rose bengal potassium I-131 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rose bengal potassium I-131?
The CAS number of Rose bengal potassium I-131 is 39989-37-2.
What is the molecular formula of Rose bengal potassium I-131?
The molecular formula of Rose bengal potassium I-131 is C20H2Cl4I4K2O5.
What is the molecular weight of Rose bengal potassium I-131?
The molecular weight of Rose bengal potassium I-131 is 1063.42 g/mol.
Where can I buy Rose bengal potassium I-131?
You can request a quote for Rose bengal potassium I-131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rose bengal potassium I-131?
Yes, KEHONG BIO provides custom synthesis services for Rose bengal potassium I-131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.