4-chloro-2-ureido-benzoic acid
TL;DR: 4-chloro-2-ureido-benzoic acid (CAS 21429-42-5) is a chemical compound with molecular formula C21H23ClN6O9 and molecular weight 538.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl acetate
Also Known As: 4-chloro-2-ureido-benzoic acid, 2-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate, 2-[[5-acetamido-4-[ azo]-2-methoxyphenyl] amino]ethylacetate, 2-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)(2-hydroxyethyl)amino)ethyl acetate, 2-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl acetate
Technical Specifications
| Molecular Formula | C21H23ClN6O9 |
| Molecular Weight | 538.1215 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 204.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 538.1215 Da |
| Heavy Atoms | 37 |
| Complexity | 838.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCO)CCOC(=O)C |
| InChIKey | PTFFWQCVPCXSOG-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-2-ureido-benzoic acid
Property Insights of 4-chloro-2-ureido-benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-ureido-benzoic acid. The TPSA of 204.0 Ų indicates high polarity, suggesting 4-chloro-2-ureido-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-chloro-2-ureido-benzoic acid has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-chloro-2-ureido-benzoic acid?
The CAS number of 4-chloro-2-ureido-benzoic acid is 21429-42-5.
What is the molecular formula of 4-chloro-2-ureido-benzoic acid?
The molecular formula of 4-chloro-2-ureido-benzoic acid is C21H23ClN6O9.
What is the molecular weight of 4-chloro-2-ureido-benzoic acid?
The molecular weight of 4-chloro-2-ureido-benzoic acid is 538.1215 g/mol.
Where can I buy 4-chloro-2-ureido-benzoic acid?
You can request a quote for 4-chloro-2-ureido-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-2-ureido-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-chloro-2-ureido-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.