(Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 700358-27-6) is a chemical compound with molecular formula C19H11BrN2O5 and molecular weight 425.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoic acid, 5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxo(3-pyridylidene))methyl](2-fury l)}benzoic acid, 5-bromo-2-{5-[(Z)-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
| Molecular Formula | C19H11BrN2O5 |
|---|---|
| Molecular Weight | 425.99 g/mol |
| LogP | 3.28718 |
| Topological Polar Surface Area | 120.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.98514 |
| Heavy Atoms | 27 |
| Complexity | 1101.5436 |
Chemical Identifiers
| CAS Number | 700358-27-6 |
|---|---|
| SMILES | CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)O)C#N |
Product Overview
(Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 700358-27-6), with molecular formula C19H11BrN2O5 and molecular weight 425.99 g/mol. IUPAC: 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 3.28718 indicates that (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)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 (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 700358-27-6.
What is the molecular formula of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid is C19H11BrN2O5.
What is the molecular weight of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 425.99 g/mol.
Where can I buy (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)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 (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-bromo-2-(5-((5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.