![2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one structure](/static/products/4183/41837-57-4.webp)
2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
TL;DR: 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 41837-57-4) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: 3-phenyl-4-benzoyl-5-isoxazolone, 2-ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 2-Ethyl-7-phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-phenyl-
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 41837-57-4 |
|---|---|
| SMILES | CCC1=NN2C(=O)C=C(N=C2S1)C3=CC=CC=C3 |
| InChIKey | WTJPLCZCNNXYPX-UHFFFAOYSA-N |
Product Overview
2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 41837-57-4), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 2-ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Property Insights of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one. Following Lipinski's Rule of Five, 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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
Frequently Asked Questions
What is the CAS number of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The CAS number of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 41837-57-4.
What is the molecular formula of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular formula of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is C13H11N3OS.
What is the molecular weight of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular weight of 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 257.06 g/mol.
Where can I buy 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
You can request a quote for 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.