![N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide structure](/static/products/853/853891-51-7.png)
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide
TL;DR: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide (CAS 853891-51-7) is a chemical compound with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide
Also Known As: F1787-0163, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxo-1H-isochromene-3-carboxamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide, N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-isocoumarincarboxamide
| Molecular Formula | C14H11N3O3S2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.0088 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.02417 |
| Heavy Atoms | 22 |
| Complexity | 888.1705 |
Chemical Identifiers
| CAS Number | 853891-51-7 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide (CAS 853891-51-7), with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide.
Chemical Property Profile of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide
Property Insights of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide
The XLogP value of 3.0088 indicates that N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-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 N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-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 N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide?
The CAS number of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide is 853891-51-7.
What is the molecular formula of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide?
The molecular formula of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide is C14H11N3O3S2.
What is the molecular weight of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide?
The molecular weight of N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide is 333.02 g/mol.
Where can I buy N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide?
You can request a quote for N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-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-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.