7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-
TL;DR: 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- (CAS 116776-45-5) is a chemical compound with molecular formula C11H8N4OS and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 5,6-Dihydro-5-imino-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one, 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-, 5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5-Imino-2-phenyl-6H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7(5H)-one, 5-imino-2-phenyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C11H8N4OS |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.66057 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04189 |
| Heavy Atoms | 17 |
| Complexity | 564.094 |
Chemical Identifiers
| CAS Number | 116776-45-5 |
|---|---|
| SMILES | C1C(=N)N2C(=NC1=O)SC(=N2)C3=CC=CC=C3 |
Product Overview
7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- (CAS 116776-45-5), with molecular formula C11H8N4OS and molecular weight 244.04 g/mol. IUPAC: 5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-
Property Insights of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-
The XLogP value of 1.66057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-. Following Lipinski's Rule of Five, 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- 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
Frequently Asked Questions
What is the CAS number of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-?
The CAS number of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- is 116776-45-5.
What is the molecular formula of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-?
The molecular formula of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- is C11H8N4OS.
What is the molecular weight of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-?
The molecular weight of 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- is 244.04 g/mol.
Where can I buy 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-?
You can request a quote for 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.