2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide
TL;DR: 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide (CAS 477216-15-2) is a chemical compound with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-[5-(1-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]chromene-3-carboxamide
Also Known As: 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide, 2-oxo-N-{5-[(1-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-chromene-3-carboxamide, 2-oxo-N-[5-(1-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]chromene-3-carboxamide, N-[5-(1-phenylethylthio)-1,3,4-thiadiazol-2-yl]-3-coumarincarboxamide
| Molecular Formula | C20H15N3O3S2 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.7501 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.05548 |
| Heavy Atoms | 28 |
| Complexity | 1188.0078 |
Chemical Identifiers
| CAS Number | 477216-15-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide (CAS 477216-15-2), with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol. IUPAC: 2-oxo-N-[5-(1-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]chromene-3-carboxamide.
Chemical Property Profile of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide
Property Insights of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide
The XLogP value of 4.7501 indicates that 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide has 1 hydrogen bond donor(s) and 7 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-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide?
The CAS number of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide is 477216-15-2.
What is the molecular formula of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide?
The molecular formula of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide is C20H15N3O3S2.
What is the molecular weight of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide?
The molecular weight of 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide is 409.06 g/mol.
Where can I buy 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide?
You can request a quote for 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-N-(5-((1-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.