2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one
TL;DR: 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one (CAS 329709-18-4) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylprop-2-enyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: TimTec1_005379, BAS 00715876, 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one, 3-(2-methylprop-2-enyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(2-methyl-2-propenyl)-2-sulfanyl-4(3H)-quinazolinone
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 329709-18-4 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | WNLISRVBNBGUGG-UHFFFAOYSA-N |
Product Overview
2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one (CAS 329709-18-4), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 3-(2-methylprop-2-enyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one
Property Insights of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 2-Mercapto-3-(2-methyl-allyl)-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 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one?
The CAS number of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one is 329709-18-4.
What is the molecular formula of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one?
The molecular formula of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one is C12H12N2OS.
What is the molecular weight of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one?
The molecular weight of 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one is 232.07 g/mol.
Where can I buy 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one?
You can request a quote for 2-Mercapto-3-(2-methyl-allyl)-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 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-(2-methyl-allyl)-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.