TL;DR: Basazol Orange 8512 (CAS 118207-99-1) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethyl 2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoate;hydrochloride
Also Known As: Basazol Orange 8512, Benzoic acid, 2-((2-hydroxy-1-naphthalenyl)azo)-, 2-(dimethylamino)ethyl ester, monohydrochloride, Benzoic acid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, 2-(dimethylamino)ethyl ester, monohydrochloride, 2-dimethylaminoethyl 2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzoate hydrochloride, 2-(Dimethylamino)ethyl 2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoate--hydrogen chloride (1/1)
| Molecular Formula | C21H22ClN3O3 |
| Molecular Weight | 399.13498 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.13498 Da |
| Heavy Atoms | 28 |
| Complexity | 511.0 |
| SMILES | CN(C)CCOC(=O)C1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O.Cl |
| InChIKey | KDCABFSKIRXMLK-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Basazol Orange 8512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Basazol Orange 8512. Following Lipinski's Rule of Five, Basazol Orange 8512 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Basazol Orange 8512 is 118207-99-1.
The molecular formula of Basazol Orange 8512 is C21H22ClN3O3.
The molecular weight of Basazol Orange 8512 is 399.13498 g/mol.
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