Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
TL;DR: Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate (CAS 151646-60-5) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
Also Known As: methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate, Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxo-3-butenoate
Technical Specifications
| Molecular Formula | C11H9NO6 |
| Molecular Weight | 251.04298 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.04298 Da |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
| SMILES | COC(=O)C(=O)C=C(C1=CC=CC=C1[N+](=O)[O-])O |
| InChIKey | LXNYKLNMJYCHBA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
Property Insights of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate?
The CAS number of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate is 151646-60-5.
What is the molecular formula of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate?
The molecular formula of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate is C11H9NO6.
What is the molecular weight of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate?
The molecular weight of Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate is 251.04298 g/mol.
Where can I buy Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate?
You can request a quote for Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.