![3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/1071/107127-28-6.webp)
3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one (CAS 107127-28-6) is a chemical compound with molecular formula C16H11N3OS and molecular weight 293.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Also Known As: 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one, 2-mercapto-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-phenyl-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Technical Specifications
| Molecular Formula | C16H11N3OS |
| Molecular Weight | 293.0623 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.0623 Da |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S |
| InChIKey | JTNSSRSQEPMIJO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.2 indicates that 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-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
What is the CAS number of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one is 107127-28-6.
What is the molecular formula of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one is C16H11N3OS.
What is the molecular weight of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one is 293.0623 g/mol.
Where can I buy 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.