N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea
TL;DR: N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea (CAS 422273-96-9) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)urea
Also Known As: (4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)urea, N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea, N-(4-Oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)urea, (4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)UREA
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 0.68129 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 672.9987 |
Chemical Identifiers
| CAS Number | 422273-96-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)N |
Product Overview
N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea (CAS 422273-96-9), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: (4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)urea.
Chemical Property Profile of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea
Property Insights of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea
The XLogP value of 0.68129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea. Following Lipinski's Rule of Five, N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea has 3 hydrogen bond donor(s) and 3 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 N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea?
The CAS number of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea is 422273-96-9.
What is the molecular formula of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea?
The molecular formula of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea is C9H8N4O2S.
What is the molecular weight of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea?
The molecular weight of N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea is 236.04 g/mol.
Where can I buy N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea?
You can request a quote for N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.