4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid
TL;DR: 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid (CAS 54719-40-3) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid
Also Known As: 4-methyl-6-(5-nitro-2-oxopyridin-1-yl)hex-4-enoic acid, (E)-4-methyl-6-(5-nitro-2-oxopyridin-1-yl)hex-4-enoic acid, 4-Hexenoic acid,4-methyl-6-(5-nitro-2-oxo-1(2h)-pyridinyl)-, (e)-(9ci)
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 54719-40-3 |
|---|---|
| SMILES | CC(=CCN1C=C(C=CC1=O)[N+](=O)[O-])CCC(=O)O |
| InChIKey | SZJBWBAFHUPWSZ-UHFFFAOYSA-N |
Product Overview
4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid (CAS 54719-40-3), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 4-methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid.
Chemical Property Profile of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid
Property Insights of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid. Following Lipinski's Rule of Five, 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid has 1 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-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid?
The CAS number of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid is 54719-40-3.
What is the molecular formula of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid?
The molecular formula of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid is C12H14N2O5.
What is the molecular weight of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid?
The molecular weight of 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid is 266.09 g/mol.
Where can I buy 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid?
You can request a quote for 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-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-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-6-(5-nitro-2-oxo-1-pyridinyl)hex-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.