N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide
TL;DR: N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 874466-91-8) is a chemical compound with molecular formula C14H13N3O3S2 and molecular weight 335.04 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-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide, N-[(2Z)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
| Molecular Formula | C14H13N3O3S2 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 2.3703 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.03983 |
| Heavy Atoms | 22 |
| Complexity | 716.8635 |
Chemical Identifiers
| CAS Number | 874466-91-8 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 |
Product Overview
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide (CAS 874466-91-8), with molecular formula C14H13N3O3S2 and molecular weight 335.04 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide
Property Insights of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide
The XLogP value of 2.3703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide. Following Lipinski's Rule of Five, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-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-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The CAS number of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide is 874466-91-8.
What is the molecular formula of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular formula of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide is C14H13N3O3S2.
What is the molecular weight of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide?
The molecular weight of N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide is 335.04 g/mol.
Where can I buy N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide?
You can request a quote for N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-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-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.