TL;DR: RefChem:362281 (CAS 21429-43-6) is a chemical compound with molecular formula C24H27ClN6O10 and molecular weight 594.1477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-ethoxyanilino]ethyl acetate
Also Known As: 4-chloro-2-ureido-benzoic acid, C.I. Disperse Blue 79 (Cl/ethoxy), 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-ethoxyanilino]ethyl acetate, N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide, ({5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}azanediyl)di(ethane-2,1-diyl) diacetate
| Molecular Formula | C24H27ClN6O10 |
| Molecular Weight | 594.1477 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 594.1477 Da |
| Heavy Atoms | 41 |
| Complexity | 940.0 |
| SMILES | CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCOC(=O)C)CCOC(=O)C |
| InChIKey | COHDSNUKFGNOIB-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that RefChem:362281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:362281 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:362281 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:362281 is 21429-43-6.
The molecular formula of RefChem:362281 is C24H27ClN6O10.
The molecular weight of RefChem:362281 is 594.1477 g/mol.
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