3-hydroxy-2-sulfanylquinazolin-4(3H)-one
TL;DR: 3-hydroxy-2-sulfanylquinazolin-4(3H)-one (CAS 849916-57-0) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-hydroxy-2-thioxo-4-quinazolone, 3-hydroxy-2-sulfanylquinazolin-4(3H)-one, 3-hydroxy-2-sulfanylidene-1H-quinazolin-4-one, 3-hydroxy-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.29639 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 570.10114 |
Chemical Identifiers
| CAS Number | 849916-57-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)O |
Product Overview
3-hydroxy-2-sulfanylquinazolin-4(3H)-one (CAS 849916-57-0), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 3-hydroxy-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one
Property Insights of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one
The XLogP value of 1.29639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-2-sulfanylquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 58.02 Ų, 3-hydroxy-2-sulfanylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-2-sulfanylquinazolin-4(3H)-one has 2 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 3-hydroxy-2-sulfanylquinazolin-4(3H)-one?
The CAS number of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one is 849916-57-0.
What is the molecular formula of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one?
The molecular formula of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one is C8H6N2O2S.
What is the molecular weight of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one?
The molecular weight of 3-hydroxy-2-sulfanylquinazolin-4(3H)-one is 194.01 g/mol.
Where can I buy 3-hydroxy-2-sulfanylquinazolin-4(3H)-one?
You can request a quote for 3-hydroxy-2-sulfanylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-2-sulfanylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2-sulfanylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.