Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate
TL;DR: Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate (CAS 68787-54-2) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Also Known As: Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-carboxylate, ethyl 7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate, Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate, Ethyl 7-oxo-2-phenyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate, RefChem:344662
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 68787-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)N=C2N1N=C(S2)C3=CC=CC=C3 |
| InChIKey | IMZFEYDQJOBCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate (CAS 68787-54-2), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: ethyl 7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate
Property Insights of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate?
The CAS number of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate is 68787-54-2.
What is the molecular formula of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate is C14H11N3O3S.
What is the molecular weight of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate is 301.05 g/mol.
Where can I buy Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.