Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
TL;DR: Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate (CAS 345617-18-7) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
Also Known As: methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate, 4-Hydroxy-4-(3-nitro-phenyl)-2-oxo-but-3-enoic acid methyl ester, 3-Butenoic acid,4-hydroxy-4-(3-nitrophenyl)-2-oxo-, methyl ester, methyl (2Z)-2-hydroxy-4-(3-nitrophenyl)-4-oxobut-2-enoate, methyl 2-hydroxy-4-(3-nitrophenyl)-4-oxobut-2-enoate
| Molecular Formula | C11H9NO6 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 1.2358 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.04298 |
| Heavy Atoms | 18 |
| Complexity | 534.0899 |
Chemical Identifiers
| CAS Number | 345617-18-7 |
|---|---|
| SMILES | COC(=O)C(=O)C=C(C1=CC(=CC=C1)[N+](=O)[O-])O |
Product Overview
Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate (CAS 345617-18-7), with molecular formula C11H9NO6 and molecular weight 251.04 g/mol. IUPAC: methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
Property Insights of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
The XLogP value of 1.2358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-4-(3-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
Frequently Asked Questions
What is the CAS number of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate?
The CAS number of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate is 345617-18-7.
What is the molecular formula of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate?
The molecular formula of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate is C11H9NO6.
What is the molecular weight of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate?
The molecular weight of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate is 251.04 g/mol.
Where can I buy Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate?
You can request a quote for Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.