Rose bengal I-131
TL;DR: Rose bengal I-131 (CAS 99689-97-1) is a chemical compound with molecular formula C20H4Cl4I4O5 and molecular weight 987.5058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetra(131I)iodo-6-oxoxanthen-9-yl)(131I4)benzoic acid
Also Known As: Rose bengal I-131, Acid Red 94, 2,3,4,5-tetrachloro-6-[3-hydroxy-2,4,5,7-tetrakis(iodanyl)-6-oxoxanthen-9-yl]benzoic acid, MKF129JIZX
Technical Specifications
| Molecular Formula | C20H4Cl4I4O5 |
| Molecular Weight | 987.5058 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 989.50287 Da |
| Heavy Atoms | 33 |
| Complexity | 988.0 |
| 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 |
| InChIKey | VDNLFJGJEQUWRB-CJXAGYTBSA-N |
Product Description
Applications: Rose bengal I-131 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Rose bengal I-131 is a fine chemical identified by CAS number 99689-97-1 and the molecular formula C20H4Cl4I4O5 and a molecular weight of 987.51 g/mol. Synonyms include Rose bengal I-131 and Acid Red 94.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Rose bengal I-131
Property Insights of Rose bengal I-131
The XLogP value of 7.6 indicates that Rose bengal I-131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Rose bengal I-131. Following Lipinski's Rule of Five, Rose bengal I-131 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Rose bengal I-131?
The CAS number of Rose bengal I-131 is 99689-97-1.
What is the molecular formula of Rose bengal I-131?
The molecular formula of Rose bengal I-131 is C20H4Cl4I4O5.
What is the molecular weight of Rose bengal I-131?
The molecular weight of Rose bengal I-131 is 987.5058 g/mol.
What are the applications of Rose bengal I-131?
Rose bengal I-131 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Rose bengal I-131?
You can request a quote for Rose bengal I-131 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rose bengal I-131?
Yes, CoreyChem provides custom synthesis services for Rose bengal I-131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.