4-Nitrobenzoylglycylglycine
TL;DR: 4-Nitrobenzoylglycylglycine (CAS 78196-53-9) is a chemical compound with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetic acid
Also Known As: 4-Nitrobenzoylglycylglycine, 4-Nitrobenzoyl-glycyl-glycine, p-nitrobenzoylglycylglycine, (4-Nitrobenzoyl)glycylglycine, (p-Nitrobenzoyl)Gly-Gly-OH
| Molecular Formula | C11H11N3O6 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0648 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 78196-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)NCC(=O)O)[N+](=O)[O-] |
| InChIKey | WQJHGFSTRONKLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzoylglycylglycine (CAS 78196-53-9), with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol. IUPAC: 2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetic acid.
Chemical Property Profile of 4-Nitrobenzoylglycylglycine
Property Insights of 4-Nitrobenzoylglycylglycine
The XLogP value of -1.0 indicates that 4-Nitrobenzoylglycylglycine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-Nitrobenzoylglycylglycine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrobenzoylglycylglycine has 3 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-Nitrobenzoylglycylglycine?
The CAS number of 4-Nitrobenzoylglycylglycine is 78196-53-9.
What is the molecular formula of 4-Nitrobenzoylglycylglycine?
The molecular formula of 4-Nitrobenzoylglycylglycine is C11H11N3O6.
What is the molecular weight of 4-Nitrobenzoylglycylglycine?
The molecular weight of 4-Nitrobenzoylglycylglycine is 281.06 g/mol.
Where can I buy 4-Nitrobenzoylglycylglycine?
You can request a quote for 4-Nitrobenzoylglycylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzoylglycylglycine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzoylglycylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.