![4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid structure](/static/products/758/758688-89-0.png)
4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
TL;DR: 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid (CAS 758688-89-0) is a chemical compound with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid
Also Known As: 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid, 4-methyl-3-[5-[2-(5-nitro-2,6-dioxo-3H-pyrimidin-4-yl)ethenyl]-2-furyl]benzoic Acid, (E)-4-methyl-3-(5-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)furan-2-yl)benzoic acid, 3-{5-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]furan-2-yl}-4-methylbenzoic acid, 4-methyl-3-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid
| Molecular Formula | C18H13N3O7 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.40842 |
| Topological Polar Surface Area | 159.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.07535 |
| Heavy Atoms | 28 |
| Complexity | 1230.4617 |
Chemical Identifiers
| CAS Number | 758688-89-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/C3=C(C(=O)NC(=O)N3)[N+](=O)[O-] |
Product Overview
4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid (CAS 758688-89-0), with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol. IUPAC: 4-methyl-3-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Property Insights of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
The XLogP value of 2.40842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid. The TPSA of 159.3 Ų indicates high polarity, suggesting 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid has 3 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-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid?
The CAS number of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid is 758688-89-0.
What is the molecular formula of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid?
The molecular formula of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid is C18H13N3O7.
What is the molecular weight of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid?
The molecular weight of 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid is 383.08 g/mol.
Where can I buy 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid?
You can request a quote for 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic 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-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-{5-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.