EINECS 229-000-0
TL;DR: EINECS 229-000-0 (CAS 6391-21-5) is a chemical compound with molecular formula C33H23N11Na2O7 and molecular weight 731.1577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxylato-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate
Also Known As: C.I. Direct Orange 73, disodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-, disodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(3-((3-(2-(1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:2), 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-5-oxo-, disodium salt, Disodium 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxylato-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate
Technical Specifications
| Molecular Formula | C33H23N11Na2O7 |
| Molecular Weight | 731.1577 g/mol |
| XLogP | -4.68 |
| Topological Polar Surface Area (TPSA) | 276.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 731.1577 Da |
| Heavy Atoms | 53 |
| Complexity | 1490.0 |
| SMILES | C1=CC(=CC(=C1)N=NC2C(=NN(C2=O)C3=CC=CC(=C3)N)C(=O)[O-])C(=O)NC4=CC(=CC=C4)N=NC5C(=NN(C5=O)C6=CC=CC(=C6)N)C(=O)[O-].[Na+].[Na+] |
| InChIKey | IXTYODUPZPZKHN-UHFFFAOYSA-L |
Chemical Property Profile of EINECS 229-000-0
Property Insights of EINECS 229-000-0
The XLogP value of -4.68 indicates that EINECS 229-000-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.0 Ų indicates high polarity, suggesting EINECS 229-000-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-000-0 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 229-000-0?
The CAS number of EINECS 229-000-0 is 6391-21-5.
What is the molecular formula of EINECS 229-000-0?
The molecular formula of EINECS 229-000-0 is C33H23N11Na2O7.
What is the molecular weight of EINECS 229-000-0?
The molecular weight of EINECS 229-000-0 is 731.1577 g/mol.
Where can I buy EINECS 229-000-0?
You can request a quote for EINECS 229-000-0 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 229-000-0?
Yes, CoreyChem provides custom synthesis services for EINECS 229-000-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.