![[2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid structure](/static/products/7228/7228-48-0.webp)
[2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid
TL;DR: [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid (CAS 7228-48-0) is a chemical compound with molecular formula C14H21N2O5P and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid
Also Known As: J1.990.074F, [1-Butyl-3-methyl-4-(thymine-1-yl)-1,2-butadienyl]phosphonic acid, [2-methyl-1-(5-methyl-2,4-dioxo-pyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic Acid, [2-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid, [2-methyl-1-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid
| Molecular Formula | C14H21N2O5P |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 1.64202 |
| Topological Polar Surface Area | 112.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.1188 |
| Heavy Atoms | 22 |
| Complexity | 762.1733 |
Chemical Identifiers
| CAS Number | 7228-48-0 |
|---|---|
| SMILES | CCCCC(=C=C(C)CN1C=C(C(=O)NC1=O)C)P(=O)(O)O |
Product Overview
[2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid (CAS 7228-48-0), with molecular formula C14H21N2O5P and molecular weight 328.12 g/mol. IUPAC: [2-methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid.
Chemical Property Profile of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid
Property Insights of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid
The XLogP value of 1.64202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid. The TPSA of 112.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid. Following Lipinski's Rule of Five, [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid has 3 hydrogen bond donor(s) and 3 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 [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid?
The CAS number of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid is 7228-48-0.
What is the molecular formula of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid?
The molecular formula of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid is C14H21N2O5P.
What is the molecular weight of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid?
The molecular weight of [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid is 328.12 g/mol.
Where can I buy [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid?
You can request a quote for [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-Methyl-1-(5-methyl-2,4-dioxopyrimidin-1-yl)octa-2,3-dien-4-yl]phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.