Rhodamine B, tetramethyl-, isothiocyanate
TL;DR: Rhodamine B, tetramethyl-, isothiocyanate (CAS 6749-36-6) is a chemical compound with molecular formula C25H22N3O3S+ and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Also Known As: Rhodamine B, tetramethyl-, isothiocyanate, 9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)xanthylium, [9-(2-carboxy-4-isothiocyanato-phenyl)-6-dimethylamino-xanthen-3-ylidene]-dimethyl-azanium, [9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium, 9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)-10??-xanthen-10-ylium
| Molecular Formula | C25H22N3O3S+ |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.13818 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 6749-36-6 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O |
| InChIKey | IJSMFQNTEUNRPY-UHFFFAOYSA-O |
Product Overview
Rhodamine B, tetramethyl-, isothiocyanate (CAS 6749-36-6), with molecular formula C25H22N3O3S+ and molecular weight 444.14 g/mol. IUPAC: [9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium.
Chemical Property Profile of Rhodamine B, tetramethyl-, isothiocyanate
Property Insights of Rhodamine B, tetramethyl-, isothiocyanate
The XLogP value of 4.4 indicates that Rhodamine B, tetramethyl-, isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodamine B, tetramethyl-, isothiocyanate. Following Lipinski's Rule of Five, Rhodamine B, tetramethyl-, isothiocyanate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rhodamine B, tetramethyl-, isothiocyanate?
The CAS number of Rhodamine B, tetramethyl-, isothiocyanate is 6749-36-6.
What is the molecular formula of Rhodamine B, tetramethyl-, isothiocyanate?
The molecular formula of Rhodamine B, tetramethyl-, isothiocyanate is C25H22N3O3S+.
What is the molecular weight of Rhodamine B, tetramethyl-, isothiocyanate?
The molecular weight of Rhodamine B, tetramethyl-, isothiocyanate is 444.14 g/mol.
Where can I buy Rhodamine B, tetramethyl-, isothiocyanate?
You can request a quote for Rhodamine B, tetramethyl-, isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodamine B, tetramethyl-, isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Rhodamine B, tetramethyl-, isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.