5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-
TL;DR: 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- (CAS 110543-85-6) is a chemical compound with molecular formula C17H9N3OS2 and molecular weight 335.0187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-phenyl-8,14-dithia-11,12,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Also Known As: 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-, 2-Phenyl-5H-(1)benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-Phenyl-5H-[1]benzothieno[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Technical Specifications
| Molecular Formula | C17H9N3OS2 |
| Molecular Weight | 335.0187 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.0187 Da |
| Heavy Atoms | 23 |
| Complexity | 584.0 |
| SMILES | C1=CC=C(C=C1)C2=NN3C(=O)C4=C(C5=CC=CC=C5S4)N=C3S2 |
| InChIKey | UOHQFRHRRKHEAD-UHFFFAOYSA-N |
Chemical Property Profile of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-
Property Insights of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-
The XLogP value of 4.7 indicates that 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-. Following Lipinski's Rule of Five, 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-?
The CAS number of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- is 110543-85-6.
What is the molecular formula of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-?
The molecular formula of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- is C17H9N3OS2.
What is the molecular weight of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-?
The molecular weight of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- is 335.0187 g/mol.
Where can I buy 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-?
You can request a quote for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl-?
Yes, CoreyChem provides custom synthesis services for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.