(E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid
TL;DR: (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 612829-07-9) is a chemical compound with molecular formula C25H20N4O5S and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[3-(4-methoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]acetylamin o}-2-azavinyl)benzoic acid, 2-[(E)-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid, 2-{(E)-[2-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C25H20N4O5S |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 3.3349 |
| Topological Polar Surface Area | 122.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.11545 |
| Heavy Atoms | 35 |
| Complexity | 1481.7202 |
Chemical Identifiers
| CAS Number | 612829-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
(E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid (CAS 612829-07-9), with molecular formula C25H20N4O5S and molecular weight 488.12 g/mol. IUPAC: 2-[(E)-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid
Property Insights of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid
The XLogP value of 3.3349 indicates that (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid has 2 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)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The CAS number of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 612829-07-9.
What is the molecular formula of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular formula of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid is C25H20N4O5S.
What is the molecular weight of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
The molecular weight of (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid is 488.12 g/mol.
Where can I buy (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
You can request a quote for (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)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)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-(2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.