4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid (CAS 37904-07-7) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyl-5-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 2'-methyl-5'-nitromaleanilic acid, 4-(2-methyl-5-nitroanilino)-4-oxobut-2-enoic acid, 3-[(2-methyl-5-nitro-phenyl)carbamoyl]prop-2-enoic Acid, 2-Butenoic acid, 4-[(2-methyl-5-nitrophenyl)amino]-4-oxo-, (Z)-
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 37904-07-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC(=O)O |
| InChIKey | XNBQISQCUQYJKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid (CAS 37904-07-7), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: 4-(2-methyl-5-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic 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
Frequently Asked Questions
What is the CAS number of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid is 37904-07-7.
What is the molecular formula of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid is C11H10N2O5.
What is the molecular weight of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid is 250.06 g/mol.
Where can I buy 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methyl-5-nitroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.