2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine
TL;DR: 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine (CAS 139047-56-6) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-N-prop-2-enylquinazolin-4-amine
Also Known As: Bionet2_000411, N-allyl-2-(methylsulfanyl)-4-quinazolinamine, N-allyl-2-(methylthio)quinazolin-4-amine, 4-allylamino-2-methylthioquinazoline, 5N-546S
Technical Specifications
| Molecular Formula | C12H13N3S |
| Molecular Weight | 231.08302 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08302 Da |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
| SMILES | CSC1=NC2=CC=CC=C2C(=N1)NCC=C |
| InChIKey | FFKHAJFJBRAONZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine
Property Insights of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine
The XLogP value of 3.5 indicates that 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine. Following Lipinski's Rule of Five, 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine?
The CAS number of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine is 139047-56-6.
What is the molecular formula of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine?
The molecular formula of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine is C12H13N3S.
What is the molecular weight of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine?
The molecular weight of 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine is 231.08302 g/mol.
Where can I buy 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine?
You can request a quote for 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine?
Yes, CoreyChem provides custom synthesis services for 2-(Methylthio)-N-2-propen-1-yl-4-quinazolinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.