4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
TL;DR: 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide (CAS 83717-71-9) is a chemical compound with molecular formula C15H10N4O4S and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
Also Known As: 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide, N-(2-mercapto-4-oxoquinazolin-3(4h)-yl)-4-nitrobenzamide, 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamid, 4-Nitro-N-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide, 4-NITRO-N-(4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BENZAMIDE
| Molecular Formula | C15H10N4O4S |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 2.35119 |
| Topological Polar Surface Area | 110.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.04227 |
| Heavy Atoms | 24 |
| Complexity | 1069.2645 |
Chemical Identifiers
| CAS Number | 83717-71-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide (CAS 83717-71-9), with molecular formula C15H10N4O4S and molecular weight 342.04 g/mol. IUPAC: 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
Property Insights of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
The XLogP value of 2.35119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide. The TPSA of 110.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide has 2 hydrogen bond donor(s) and 5 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-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide?
The CAS number of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide is 83717-71-9.
What is the molecular formula of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide?
The molecular formula of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide is C15H10N4O4S.
What is the molecular weight of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide?
The molecular weight of 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide is 342.04 g/mol.
Where can I buy 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide?
You can request a quote for 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.