3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one (CAS 72176-80-8) is a chemical compound with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, nitrophenylthioxodihydroquinazolinone, 3-(4-nitrophenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(4-nitrophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
| Molecular Formula | C14H9N3O3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 2.95649 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.03647 |
| Heavy Atoms | 21 |
| Complexity | 957.60046 |
Chemical Identifiers
| CAS Number | 72176-80-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one (CAS 72176-80-8), with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol. IUPAC: 3-(4-nitrophenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.95649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 4 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 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is 72176-80-8.
What is the molecular formula of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is C14H9N3O3S.
What is the molecular weight of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is 299.04 g/mol.
Where can I buy 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.