Diiodofluorescein isothiocyanate
TL;DR: Diiodofluorescein isothiocyanate (CAS 80433-89-2) is a chemical compound with molecular formula C21H9I2NO5S and molecular weight 640.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Diiodofluorescein isothiocyanate, diiodofluoresceinisothiocyanate, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-4',5'-diiodo-5-isothiocyanato-, 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one, 3',6'-Dihydroxy-4',5'-diiodo-5-isothiocyanato-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C21H9I2NO5S |
|---|---|
| Molecular Weight | 640.83 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 640.8291 |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 80433-89-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O |
| InChIKey | IMYGGUMSYXRHLN-UHFFFAOYSA-N |
Product Overview
Diiodofluorescein isothiocyanate (CAS 80433-89-2), with molecular formula C21H9I2NO5S and molecular weight 640.83 g/mol. IUPAC: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of Diiodofluorescein isothiocyanate
Property Insights of Diiodofluorescein isothiocyanate
The XLogP value of 6.1 indicates that Diiodofluorescein 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 Diiodofluorescein isothiocyanate. Following Lipinski's Rule of Five, Diiodofluorescein 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 Diiodofluorescein isothiocyanate?
The CAS number of Diiodofluorescein isothiocyanate is 80433-89-2.
What is the molecular formula of Diiodofluorescein isothiocyanate?
The molecular formula of Diiodofluorescein isothiocyanate is C21H9I2NO5S.
What is the molecular weight of Diiodofluorescein isothiocyanate?
The molecular weight of Diiodofluorescein isothiocyanate is 640.83 g/mol.
Where can I buy Diiodofluorescein isothiocyanate?
You can request a quote for Diiodofluorescein isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diiodofluorescein isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Diiodofluorescein isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.