![2-[(4-Nitrophenyl)methylidene]propanedioic acid structure](/static/products/542/54267-71-9.png)
2-[(4-Nitrophenyl)methylidene]propanedioic acid
TL;DR: 2-[(4-Nitrophenyl)methylidene]propanedioic acid (CAS 54267-71-9) is a chemical compound with molecular formula C10H7NO6 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylidene]propanedioic acid
Also Known As: (4-Nitrobenzylidene)malonic acid, (4-nitrobenzylidene)propanedioic acid, 2-(4-Nitrobenzylidene)malonic acid, 2-(4-Nitro-benzylidene)-malonic acid, 2-[(4-nitrophenyl)methylidene]propanedioic acid
| Molecular Formula | C10H7NO6 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02734 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 54267-71-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | MLBHMFODFBLWRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Nitrophenyl)methylidene]propanedioic acid (CAS 54267-71-9), with molecular formula C10H7NO6 and molecular weight 237.03 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]propanedioic acid.
Chemical Property Profile of 2-[(4-Nitrophenyl)methylidene]propanedioic acid
Property Insights of 2-[(4-Nitrophenyl)methylidene]propanedioic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitrophenyl)methylidene]propanedioic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methylidene]propanedioic acid. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methylidene]propanedioic acid has 2 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 2-[(4-Nitrophenyl)methylidene]propanedioic acid?
The CAS number of 2-[(4-Nitrophenyl)methylidene]propanedioic acid is 54267-71-9.
What is the molecular formula of 2-[(4-Nitrophenyl)methylidene]propanedioic acid?
The molecular formula of 2-[(4-Nitrophenyl)methylidene]propanedioic acid is C10H7NO6.
What is the molecular weight of 2-[(4-Nitrophenyl)methylidene]propanedioic acid?
The molecular weight of 2-[(4-Nitrophenyl)methylidene]propanedioic acid is 237.03 g/mol.
Where can I buy 2-[(4-Nitrophenyl)methylidene]propanedioic acid?
You can request a quote for 2-[(4-Nitrophenyl)methylidene]propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Nitrophenyl)methylidene]propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)methylidene]propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.