4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid (CAS 1164548-25-7) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxy-5-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: AH-034/34968002, 4-(2-methoxy-5-nitroanilino)-4-oxobut-2-enoic acid, (E)-4-(2-Methoxy-5-nitroanilino)-4-oxo-2-butenoic acid, 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxo-2-butenoic acid, (E)-4-((2-methoxy-5-nitrophenyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C11H10N2O6 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0539 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 1164548-25-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC(=O)O |
| InChIKey | MRKPTXZBUGDKNJ-UHFFFAOYSA-N |
Product Overview
4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid (CAS 1164548-25-7), with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol. IUPAC: 4-(2-methoxy-5-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic 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 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid is 1164548-25-7.
What is the molecular formula of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid is C11H10N2O6.
What is the molecular weight of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid is 266.05 g/mol.
Where can I buy 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Methoxy-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-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxy-5-nitroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.