4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid (CAS 96053-93-9) is a chemical compound with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid
Also Known As: F0856-0054, 4-((1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid, 4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid, 3-{[1,3-DIHYDROXY-1-(4-NITROPHENYL)PROPAN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl]propanoic Acid
| Molecular Formula | C13H16N2O7 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | -0.0299 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.09576 |
| Heavy Atoms | 22 |
| Complexity | 543.8245 |
Chemical Identifiers
| CAS Number | 96053-93-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(CO)NC(=O)CCC(=O)O)O)[N+](=O)[O-] |
Product Overview
4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid (CAS 96053-93-9), with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol. IUPAC: 4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid
The XLogP value of -0.0299 indicates that 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid is 96053-93-9.
What is the molecular formula of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid is C13H16N2O7.
What is the molecular weight of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid is 312.10 g/mol.
Where can I buy 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.