2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
TL;DR: 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid (CAS 1026687-39-7) is a chemical compound with molecular formula C12H15N3O6 and molecular weight 297.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 2-(2-hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid, 2-[(2-HYDROXYETHYL)AMINO]-3-[(3-NITROPHENYL)CARBAMOYL]PROPANOIC ACID, 2-((2-hydroxyethyl)amino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid, F1278-0419, 2-(2-hydroxyethylamino)-3-[(3-nitrophenyl)carbamoyl]propanoic Acid
Technical Specifications
| Molecular Formula | C12H15N3O6 |
| Molecular Weight | 297.0961 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.0961 Da |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCO |
| InChIKey | SKLBOQAAWDHXEC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Property Insights of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
The XLogP value of -2.4 indicates that 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid has 4 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 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The CAS number of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is 1026687-39-7.
What is the molecular formula of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is C12H15N3O6.
What is the molecular weight of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is 297.0961 g/mol.
Where can I buy 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Hydroxyethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.