![[3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide structure](/static/products/612/612830-08-7.png)
[3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
TL;DR: [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 612830-08-7) is a chemical compound with molecular formula C25H18ClN5O4S and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide|(E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide|2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]ethanamide|2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide|N-[(1E,3E)-4-(2-nitrophenyl)-1-azabuta-1,3-dienyl]-2-[3-(4-chlorophenyl)-4-oxo (3-hydroquinazolin-2-ylthio)]acetamide|SMR000219845|MLS000588436|MLS003902875|cid_1621615
| Molecular Formula | C25H18ClN5O4S |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | 4.8548 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.0768 |
| Heavy Atoms | 36 |
| Complexity | 1550.63 |
Chemical Identifiers
| CAS Number | 612830-08-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=N/NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
[3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide (CAS 612830-08-7), with molecular formula C25H18ClN5O4S and molecular weight 519.08 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
Property Insights of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
The XLogP value of 4.8548 indicates that [3-(4-Chloro-phenyl)-4-oxo-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 [3-(4-Chloro-phenyl)-4-oxo-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, [3-(4-Chloro-phenyl)-4-oxo-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The CAS number of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 612830-08-7.
What is the molecular formula of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular formula of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is C25H18ClN5O4S.
What is the molecular weight of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide?
The molecular weight of [3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide is 519.08 g/mol.
Where can I buy [3-(4-Chloro-phenyl)-4-oxo-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 [3-(4-Chloro-phenyl)-4-oxo-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 [3-(4-Chloro-phenyl)-4-oxo-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 [3-(4-Chloro-phenyl)-4-oxo-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.