![4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide structure](/static/products/4780/478031-93-5.webp)
4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide
TL;DR: 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide (CAS 478031-93-5) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
Also Known As: 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide, 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide, 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzamide, N-(2-isovaleryl-3-keto-1,2,4-thiadiazol-5-yl)-4-methyl-benzamide, 4-methyl-N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.55182 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 744.1383 |
Chemical Identifiers
| CAS Number | 478031-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)CC(C)C |
Product Overview
4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide (CAS 478031-93-5), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.
Chemical Property Profile of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide
Property Insights of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide
The XLogP value of 2.55182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide. Following Lipinski's Rule of Five, 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide has 1 hydrogen bond donor(s) and 5 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 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide?
The CAS number of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide is 478031-93-5.
What is the molecular formula of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide?
The molecular formula of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide is C15H17N3O3S.
What is the molecular weight of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide?
The molecular weight of 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide is 319.10 g/mol.
Where can I buy 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide?
You can request a quote for 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.