Eosin 5-isothiocyanate
TL;DR: Eosin 5-isothiocyanate (CAS 60520-47-0) is a chemical compound with molecular formula C21H7Br4NO5S and molecular weight 700.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Eosin 5-isothiocyanate, Eosin isothiocyanate, Eosine-5-isothiocyanate, Eosin-5-isothiocyanate, EITC
| Molecular Formula | C21H7Br4NO5S |
|---|---|
| Molecular Weight | 700.68 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 700.67786 |
| Heavy Atoms | 32 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 60520-47-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br |
| InChIKey | XHXYXYGSUXANME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Eosin 5-isothiocyanate (CAS 60520-47-0), with molecular formula C21H7Br4NO5S and molecular weight 700.68 g/mol. IUPAC: 2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of Eosin 5-isothiocyanate
Property Insights of Eosin 5-isothiocyanate
The XLogP value of 7.6 indicates that Eosin 5-isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Eosin 5-isothiocyanate. Following Lipinski's Rule of Five, Eosin 5-isothiocyanate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eosin 5-isothiocyanate?
The CAS number of Eosin 5-isothiocyanate is 60520-47-0.
What is the molecular formula of Eosin 5-isothiocyanate?
The molecular formula of Eosin 5-isothiocyanate is C21H7Br4NO5S.
What is the molecular weight of Eosin 5-isothiocyanate?
The molecular weight of Eosin 5-isothiocyanate is 700.68 g/mol.
Where can I buy Eosin 5-isothiocyanate?
You can request a quote for Eosin 5-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eosin 5-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Eosin 5-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.