(E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate
TL;DR: (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate (CAS 752229-23-5) is a chemical compound with molecular formula C17H16N4O5 and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoate
Also Known As: (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate, methyl 4-[(2E)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoate, methyl 4-[2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoate, methyl 4-{(2Z)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoate
| Molecular Formula | C17H16N4O5 |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 1.9283 |
| Topological Polar Surface Area | 137.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11206 |
| Heavy Atoms | 26 |
| Complexity | 955.08923 |
Chemical Identifiers
| CAS Number | 752229-23-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCO)N=NC2=CC=C(C=C2)C(=O)OC |
Product Overview
(E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate (CAS 752229-23-5), with molecular formula C17H16N4O5 and molecular weight 356.11 g/mol. IUPAC: methyl 4-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate
Property Insights of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate
The XLogP value of 1.9283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate. The TPSA of 137.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate has 2 hydrogen bond donor(s) and 8 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)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate?
The CAS number of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate is 752229-23-5.
What is the molecular formula of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate is C17H16N4O5.
What is the molecular weight of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate is 356.11 g/mol.
Where can I buy (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.