TL;DR: Direct Orange 29 free acid (CAS 25255-09-8) is a chemical compound with molecular formula C34H24N6O11S2 and molecular weight 756.0944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[1-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Also Known As: Direct Orange 29 free acid, C.i. direct Orange 29 (free acid), Benzoic acid, 3-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, Benzoic acid, 3-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, 3-{[1-Hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]carbamoyl}amino)-3-sulfonaphthalen-2-yl]diazenyl}benzoic acid
| Molecular Formula | C34H24N6O11S2 |
| Molecular Weight | 756.0944 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 294.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 756.0944 Da |
| Heavy Atoms | 53 |
| Complexity | 1580.0 |
| SMILES | C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC(=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | LHZXQEFDPQKZLS-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that Direct Orange 29 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 294.0 Ų indicates high polarity, suggesting Direct Orange 29 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Orange 29 free acid has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Direct Orange 29 free acid is 25255-09-8.
The molecular formula of Direct Orange 29 free acid is C34H24N6O11S2.
The molecular weight of Direct Orange 29 free acid is 756.0944 g/mol.
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