5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid
TL;DR: 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid (CAS 53602-84-9) is a chemical compound with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoic acid
Also Known As: Glucana, GlucNA, Glu-3C-4NA, ??GT, -5-[ amino]-2-nitrobenzoicacid
| Molecular Formula | C12H13N3O7 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.07535 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 53602-84-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | AHFFWTMLFDZSOF-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid (CAS 53602-84-9), with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol. IUPAC: 5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoic acid.
Chemical Property Profile of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid
Property Insights of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid
The XLogP value of -2.8 indicates that 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid has 4 hydrogen bond donor(s) and 8 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 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid?
The CAS number of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid is 53602-84-9.
What is the molecular formula of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid?
The molecular formula of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid is C12H13N3O7.
What is the molecular weight of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid?
The molecular weight of 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid is 311.08 g/mol.
Where can I buy 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid?
You can request a quote for 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4S)-4-Amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.