N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
TL;DR: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 853890-33-2) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 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)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxoisochroman-3-carboxamide, N-(5-ethyl(1,3,4-thiadiazol-2-yl))(7-methyl-1-oxoisochroman-3-yl)carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide, N-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-7-METHYL-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXAMIDE
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.12912 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 741.384 |
Chemical Identifiers
| CAS Number | 853890-33-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)O2 |
Product Overview
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 853890-33-2), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Property Insights of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
The XLogP value of 2.12912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide. 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)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-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)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The CAS number of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 853890-33-2.
What is the molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is C15H15N3O3S.
What is the molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 317.08 g/mol.
Where can I buy N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
You can request a quote for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-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-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.