2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
TL;DR: 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 223694-75-5) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
Also Known As: J1.109.418J, 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one, 4-(2-methylphenyl)-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one, 4-(2-methylphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one, F0581-0497
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.52092 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 591.5633 |
Chemical Identifiers
| CAS Number | 223694-75-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=S)N2 |
Product Overview
2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 223694-75-5), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: 4-(2-methylphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one.
Chemical Property Profile of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
Property Insights of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
The XLogP value of 2.52092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one. With a topological polar surface area (TPSA) of 41.13 Ų, 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one has 2 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-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The CAS number of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 223694-75-5.
What is the molecular formula of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular formula of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is C15H16N2OS.
What is the molecular weight of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular weight of 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 272.10 g/mol.
Where can I buy 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
You can request a quote for 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.