![4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid structure](/static/products/851/85142-55-8.png)
4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid
TL;DR: 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid (CAS 85142-55-8) 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.
(E)-4-(4-methyl-2-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-[(4-methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid, (2Z)-3-[(4-METHYL-2-NITROPHENYL)CARBAMOYL]PROP-2-ENOIC ACID, (E)-4-(4-methyl-2-nitroanilino)-4-oxobut-2-enoic acid, (E)-4-((4-methyl-2-nitrophenyl)amino)-4-oxobut-2-enoic acid, (2E)-4-[(4-methyl-2-nitrophenyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.48252 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 536.23517 |
Chemical Identifiers
| CAS Number | 85142-55-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)O)[N+](=O)[O-] |
Product Overview
4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid (CAS 85142-55-8), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: (E)-4-(4-methyl-2-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid
Property Insights of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid
The XLogP value of 1.48252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 4 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-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid?
The CAS number of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid is 85142-55-8.
What is the molecular formula of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid?
The molecular formula of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid is C11H10N2O5.
What is the molecular weight of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid?
The molecular weight of 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid is 250.06 g/mol.
Where can I buy 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid?
You can request a quote for 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.