![N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide structure](/static/products/4780/478031-91-3.webp)
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
TL;DR: N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (CAS 478031-91-3) is a chemical compound with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
Also Known As: N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide, N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide, N-[2-(3-methylbutanoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide, 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)benzamide
| Molecular Formula | C14H15N3O3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 2.2434 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0834 |
| Heavy Atoms | 21 |
| Complexity | 703.75433 |
Chemical Identifiers
| CAS Number | 478031-91-3 |
|---|---|
| SMILES | CC(C)CC(=O)N1C(=O)N=C(S1)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (CAS 478031-91-3), with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol. IUPAC: N-[2-(3-methylbutanoyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.
Chemical Property Profile of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
Property Insights of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
The XLogP value of 2.2434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide. Following Lipinski's Rule of Five, N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide 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 N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The CAS number of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is 478031-91-3.
What is the molecular formula of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The molecular formula of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is C14H15N3O3S.
What is the molecular weight of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The molecular weight of N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is 305.08 g/mol.
Where can I buy N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
You can request a quote for N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.