4',5'-Dimethylfluorescein isothiocyanate
TL;DR: 4',5'-Dimethylfluorescein isothiocyanate (CAS 98242-56-9) is a chemical compound with molecular formula C23H15NO5S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Dmftic, 4',5'-Dimethylfluorescein isothiocyanate, 4',5'-dimethylfluoresceinisothiocyanate, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-isothiocyanato-4',5'-dimethyl-, 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
| Molecular Formula | C23H15NO5S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.0671 |
| Heavy Atoms | 30 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 98242-56-9 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC3=C(C24C5=C(C=C(C=C5)N=C=S)C(=O)O4)C=CC(=C3C)O)O |
| InChIKey | DXFGXFRWYRUSEO-UHFFFAOYSA-N |
Product Overview
4',5'-Dimethylfluorescein isothiocyanate (CAS 98242-56-9), with molecular formula C23H15NO5S and molecular weight 417.07 g/mol. IUPAC: 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 4',5'-Dimethylfluorescein isothiocyanate
Property Insights of 4',5'-Dimethylfluorescein isothiocyanate
The XLogP value of 5.6 indicates that 4',5'-Dimethylfluorescein 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 4',5'-Dimethylfluorescein isothiocyanate. Following Lipinski's Rule of Five, 4',5'-Dimethylfluorescein 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 4',5'-Dimethylfluorescein isothiocyanate?
The CAS number of 4',5'-Dimethylfluorescein isothiocyanate is 98242-56-9.
What is the molecular formula of 4',5'-Dimethylfluorescein isothiocyanate?
The molecular formula of 4',5'-Dimethylfluorescein isothiocyanate is C23H15NO5S.
What is the molecular weight of 4',5'-Dimethylfluorescein isothiocyanate?
The molecular weight of 4',5'-Dimethylfluorescein isothiocyanate is 417.07 g/mol.
Where can I buy 4',5'-Dimethylfluorescein isothiocyanate?
You can request a quote for 4',5'-Dimethylfluorescein isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5'-Dimethylfluorescein isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4',5'-Dimethylfluorescein isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.