4'-Methyl-3'-nitromaleanilic acid
TL;DR: 4'-Methyl-3'-nitromaleanilic acid (CAS 401624-55-3) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methyl-3-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 4'-METHYL-3'-NITROMALEANILIC ACID, 4-(4-methyl-3-nitroanilino)-4-oxobut-2-enoic acid, 3-(4-Methyl-3-nitro-phenylcarbamoyl)-acrylic acid, 3-[(4-methyl-3-nitro-phenyl)carbamoyl]prop-2-enoic Acid, 3-[N-(4-methyl-3-nitrophenyl)carbamoyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C11H10N2O5 |
| Molecular Weight | 250.05898 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05898 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C=CC(=O)O)[N+](=O)[O-] |
| InChIKey | POKXHZCYWHLENN-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Methyl-3'-nitromaleanilic acid
Property Insights of 4'-Methyl-3'-nitromaleanilic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methyl-3'-nitromaleanilic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methyl-3'-nitromaleanilic acid. Following Lipinski's Rule of Five, 4'-Methyl-3'-nitromaleanilic acid 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
What is the CAS number of 4'-Methyl-3'-nitromaleanilic acid?
The CAS number of 4'-Methyl-3'-nitromaleanilic acid is 401624-55-3.
What is the molecular formula of 4'-Methyl-3'-nitromaleanilic acid?
The molecular formula of 4'-Methyl-3'-nitromaleanilic acid is C11H10N2O5.
What is the molecular weight of 4'-Methyl-3'-nitromaleanilic acid?
The molecular weight of 4'-Methyl-3'-nitromaleanilic acid is 250.05898 g/mol.
Where can I buy 4'-Methyl-3'-nitromaleanilic acid?
You can request a quote for 4'-Methyl-3'-nitromaleanilic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Methyl-3'-nitromaleanilic acid?
Yes, CoreyChem provides custom synthesis services for 4'-Methyl-3'-nitromaleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.