![3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one structure](/static/products/146/146606-57-7.webp)
3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one
TL;DR: 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one (CAS 146606-57-7) is a chemical compound with molecular formula C19H11N3OS and molecular weight 329.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-phenyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
Also Known As: AO-799/42008054, 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one, 14-Phenyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
Technical Specifications
| Molecular Formula | C19H11N3OS |
| Molecular Weight | 329.0623 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.0623 Da |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
| SMILES | C1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC5=CC=CC=C5C=C34 |
| InChIKey | APEPNHKPXGPQTP-UHFFFAOYSA-N |
Chemical Property Profile of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one
Property Insights of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one
The XLogP value of 4.4 indicates that 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one. Following Lipinski's Rule of Five, 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one has 0 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 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one?
The CAS number of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one is 146606-57-7.
What is the molecular formula of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one?
The molecular formula of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one is C19H11N3OS.
What is the molecular weight of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one?
The molecular weight of 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one is 329.0623 g/mol.
Where can I buy 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one?
You can request a quote for 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-phenylpyrimido[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.