4-硝基马尿酸
TL;DR: 4-硝基马尿酸 (CAS 2645-07-0) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基马尿酸
2-[(4-nitrobenzoyl)amino]acetic acid
Also Known As: 4-Nitrohippuric acid, N-(4-Nitrobenzoyl)glycine, Glycine, N-(4-nitrobenzoyl)-, 4-Nitrobenzoylglycine, p-Nitrobenzoylglycine
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
| Melting Point | 268 to 132.8 °C |
| Solubility | 1 to 5 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2645-07-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)[N+](=O)[O-] |
| InChIKey | XCMUCRMMVDSVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基马尿酸 (CAS 2645-07-0), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: 2-[(4-nitrobenzoyl)amino]acetic acid.
Chemical Property Profile of 4-硝基马尿酸
Property Insights of 4-硝基马尿酸
The XLogP value of -0.4 indicates that 4-硝基马尿酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基马尿酸. Following Lipinski's Rule of Five, 4-硝基马尿酸 has 2 hydrogen bond donor(s) and 5 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-硝基马尿酸?
The CAS number of 4-硝基马尿酸 is 2645-07-0.
What is the molecular formula of 4-硝基马尿酸?
The molecular formula of 4-硝基马尿酸 is C9H8N2O5.
What is the molecular weight of 4-硝基马尿酸?
The molecular weight of 4-硝基马尿酸 is 224.04 g/mol.
Where can I buy 4-硝基马尿酸?
You can request a quote for 4-硝基马尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基马尿酸?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基马尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.