3-Allyl-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-Allyl-2-mercapto-3H-quinazolin-4-one (CAS 21263-59-2) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Allyl-2-mercapto-3H-quinazolin-4-one, 3-allyl-2-mercaptoquinazolin-4(3H)-one, ChemDiv3_002774, CHEMBRDG-BB 5727966, 3-Allyl-2-mercapto-4(3H)-quinazolinone
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21263-59-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | SJUBWTIKDYWHEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Allyl-2-mercapto-3H-quinazolin-4-one (CAS 21263-59-2), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-Allyl-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-Allyl-2-mercapto-3H-quinazolin-4-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-2-mercapto-3H-quinazolin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-2-mercapto-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-Allyl-2-mercapto-3H-quinazolin-4-one has 1 hydrogen bond donor(s) and 2 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-Allyl-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-Allyl-2-mercapto-3H-quinazolin-4-one is 21263-59-2.
What is the molecular formula of 3-Allyl-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-Allyl-2-mercapto-3H-quinazolin-4-one is C11H10N2OS.
What is the molecular weight of 3-Allyl-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-Allyl-2-mercapto-3H-quinazolin-4-one is 218.05 g/mol.
Where can I buy 3-Allyl-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-Allyl-2-mercapto-3H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-2-mercapto-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.