Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester
TL;DR: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester (CAS 125629-04-1) is a chemical compound with molecular formula C10H9NO7 and molecular weight 255.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoacetate
Also Known As: Ethyl 3,4-dihydroxy-5-nitro-alpha-oxobenzeneacetate, Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester, ethyl 3,4-dihydroxy-5-nitrophenylglyoxylate, ethyl 2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoacetate, ethyl 3,4-dihydroxy-5-nitro-phenylglyoxylate
Technical Specifications
| Molecular Formula | C10H9NO7 |
| Molecular Weight | 255.0379 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.0379 Da |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-] |
| InChIKey | ACPFYBYFZMSBCK-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester
Property Insights of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester?
The CAS number of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester is 125629-04-1.
What is the molecular formula of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester?
The molecular formula of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester is C10H9NO7.
What is the molecular weight of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester?
The molecular weight of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester is 255.0379 g/mol.
Where can I buy Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester?
You can request a quote for Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.