2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
TL;DR: 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide (CAS 451463-41-5) is a chemical compound with molecular formula C11H8N4O2S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
Also Known As: ChemDiv3_012400, 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide, 2-cyano-N-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide, 2-cyano-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
| Molecular Formula | C11H8N4O2S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 1.04287 |
| Topological Polar Surface Area | 90.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0368 |
| Heavy Atoms | 18 |
| Complexity | 768.9325 |
Chemical Identifiers
| CAS Number | 451463-41-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CC#N |
Product Overview
2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide (CAS 451463-41-5), with molecular formula C11H8N4O2S and molecular weight 260.04 g/mol. IUPAC: 2-cyano-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide.
Chemical Property Profile of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Property Insights of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
The XLogP value of 1.04287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide. The TPSA of 90.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide. Following Lipinski's Rule of Five, 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide has 2 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 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide?
The CAS number of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide is 451463-41-5.
What is the molecular formula of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide?
The molecular formula of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide is C11H8N4O2S.
What is the molecular weight of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide?
The molecular weight of 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide is 260.04 g/mol.
Where can I buy 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide?
You can request a quote for 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.