TL;DR: Basic Red 1 (CAS 1232233-19-0) is a chemical compound with molecular formula C28H31ClN2O3 and molecular weight 478.20233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;hydrochloride
Also Known As: RHODAMINE 6G, Basic Red 1, Rhodanine 6GDN, Mitsui Rhodamine, Rhodamine J
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H31ClN2O3 |
| Molecular Weight | 478.20233 g/mol |
| XLogP | 6.77234 |
| Topological Polar Surface Area (TPSA) | 61.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.20233 Da |
| Heavy Atoms | 34 |
| Complexity | 823.0 |
| SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.Cl |
| InChIKey | VYXSBFYARXAAKO-UHFFFAOYSA-N |
The XLogP value of 6.77234 indicates that Basic Red 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Basic Red 1. Following Lipinski's Rule of Five, Basic Red 1 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Basic Red 1 is 1232233-19-0.
The molecular formula of Basic Red 1 is C28H31ClN2O3.
The molecular weight of Basic Red 1 is 478.20233 g/mol.
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