N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
TL;DR: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 627044-13-7) is a chemical compound with molecular formula C14H13N3O3S and molecular weight 303.07 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-3,4-dihydroisochromene-3-carboxamide
Also Known As: ChemDiv2_005071, IDI1_003786, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxoisochroman-3-carboxamide
| Molecular Formula | C14H13N3O3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 1.8207 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.06775 |
| Heavy Atoms | 21 |
| Complexity | 698.2776 |
Chemical Identifiers
| CAS Number | 627044-13-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 |
Product Overview
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 627044-13-7), with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Property Insights of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
The XLogP value of 1.8207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The CAS number of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 627044-13-7.
What is the molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is C14H13N3O3S.
What is the molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide is 303.07 g/mol.
Where can I buy N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide?
You can request a quote for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-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)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.