![N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide structure](/static/products/824/824944-37-8.png)
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
TL;DR: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 824944-37-8) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Also Known As: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxoisochroman-3-carboxamide, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide, (3-methyl-1-oxoisochroman-3-yl)-N-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-yl) ]carboxamide, N-[(2E)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.9407 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 1022.3001 |
Chemical Identifiers
| CAS Number | 824944-37-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4 |
Product Overview
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 824944-37-8), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Property Insights of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
The XLogP value of 3.9407 indicates that N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The CAS number of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 824944-37-8.
What is the molecular formula of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular formula of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is C20H17N3O3S2.
What is the molecular weight of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular weight of N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 411.07 g/mol.
Where can I buy N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
You can request a quote for N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.