(E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid
TL;DR: (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid (CAS 845635-55-4) is a chemical compound with molecular formula C16H13BrN4O5 and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid
Also Known As: (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid, 5-bromo-2-[(2E)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoic acid, 5-bromo-2-[2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoic acid, 5-bromo-2-{(2Z)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
| Molecular Formula | C16H13BrN4O5 |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 2.6024 |
| Topological Polar Surface Area | 148.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.00693 |
| Heavy Atoms | 26 |
| Complexity | 1007.1655 |
Chemical Identifiers
| CAS Number | 845635-55-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCO)N=NC2=C(C=C(C=C2)Br)C(=O)O |
Product Overview
(E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid (CAS 845635-55-4), with molecular formula C16H13BrN4O5 and molecular weight 420.01 g/mol. IUPAC: 5-bromo-2-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid.
Chemical Property Profile of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid
Property Insights of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid
The XLogP value of 2.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid. The TPSA of 148.27 Ų indicates high polarity, suggesting (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid has 3 hydrogen bond donor(s) and 7 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 (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid?
The CAS number of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid is 845635-55-4.
What is the molecular formula of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid?
The molecular formula of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid is C16H13BrN4O5.
What is the molecular weight of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid?
The molecular weight of (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid is 420.01 g/mol.
Where can I buy (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid?
You can request a quote for (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-bromo-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.