![(4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide structure](/static/products/488/488709-14-4.png)
(4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
TL;DR: (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 488709-14-4) is a chemical compound with molecular formula C26H21N5O4S and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide, (E)-N'-((E)-3-(2-nitrophenyl)allylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide, 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide, 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]ethanamide
| Molecular Formula | C26H21N5O4S |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 4.50982 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.13144 |
| Heavy Atoms | 36 |
| Complexity | 1544.515 |
Chemical Identifiers
| CAS Number | 488709-14-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C=C/C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
(4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 488709-14-4), with molecular formula C26H21N5O4S and molecular weight 499.13 g/mol. IUPAC: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
Property Insights of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
The XLogP value of 4.50982 indicates that (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide. Following Lipinski's Rule of Five, (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide has 1 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 (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The CAS number of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 488709-14-4.
What is the molecular formula of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular formula of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is C26H21N5O4S.
What is the molecular weight of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular weight of (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 499.13 g/mol.
Where can I buy (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
You can request a quote for (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-p-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.