![3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid structure](/static/products/678/678972-05-9.png)
3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid
TL;DR: 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid (CAS 678972-05-9) is a chemical compound with molecular formula C19H12N2O5 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid, 3-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid, (Z)-3-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-{5-[(Z)-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
| Molecular Formula | C19H12N2O5 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 2.52468 |
| Topological Polar Surface Area | 120.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.07462 |
| Heavy Atoms | 26 |
| Complexity | 1049.877 |
Chemical Identifiers
| CAS Number | 678972-05-9 |
|---|---|
| SMILES | CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N |
Product Overview
3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid (CAS 678972-05-9), with molecular formula C19H12N2O5 and molecular weight 348.07 g/mol. IUPAC: 3-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid
Property Insights of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid
The XLogP value of 2.52468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid. The TPSA of 120.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid. Following Lipinski's Rule of Five, 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid has 2 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 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid?
The CAS number of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid is 678972-05-9.
What is the molecular formula of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid?
The molecular formula of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid is C19H12N2O5.
What is the molecular weight of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid?
The molecular weight of 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid is 348.07 g/mol.
Where can I buy 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid?
You can request a quote for 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(5-cyano-4-methyl-2,6-dioxo-pyridin-3-ylidene)methyl]-2-furyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.