5-TRITC
TL;DR: 5-TRITC (CAS 20746-54-7) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',6'-bis(dimethylamino)-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: TRITC, Tetramethylrhodamine-5-isothiocyanate, Tetramethylrhodamine isothiocyanate mixed isomers, Fluoran, 3',6'-bis(dimethylamino)-5-isothiocyanato-, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(dimethylamino)-5-isothiocyanato-
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 20746-54-7 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N=C=S)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C |
| InChIKey | GKMSREGJMYNJMR-UHFFFAOYSA-N |
Product Overview
5-TRITC (CAS 20746-54-7), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: 3',6'-bis(dimethylamino)-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 5-TRITC
Property Insights of 5-TRITC
The XLogP value of 5.8 indicates that 5-TRITC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-TRITC. Following Lipinski's Rule of Five, 5-TRITC has 0 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 5-TRITC?
The CAS number of 5-TRITC is 20746-54-7.
What is the molecular formula of 5-TRITC?
The molecular formula of 5-TRITC is C25H21N3O3S.
What is the molecular weight of 5-TRITC?
The molecular weight of 5-TRITC is 443.13 g/mol.
Where can I buy 5-TRITC?
You can request a quote for 5-TRITC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-TRITC?
Yes, KEHONG BIO provides custom synthesis services for 5-TRITC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.