N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide
TL;DR: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide (CAS 853890-01-4) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
Also Known As: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide, N-(5-ethyl(1,3,4-thiadiazol-2-yl))(1-oxo-3-phenylisochroman-6-yl)carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.807 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 1000.7164 |
Chemical Identifiers
| CAS Number | 853890-01-4 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4 |
Product Overview
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide (CAS 853890-01-4), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
Chemical Property Profile of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide
Property Insights of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide
The XLogP value of 3.807 indicates that N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide. Following Lipinski's Rule of Five, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide has 1 hydrogen bond donor(s) and 6 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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The CAS number of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide is 853890-01-4.
What is the molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide is C20H17N3O3S.
What is the molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide is 379.10 g/mol.
Where can I buy N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide?
You can request a quote for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.