N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide
TL;DR: N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide (CAS 477845-30-0) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide
Also Known As: 10L-629S, N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide, N-(2-benzoyl-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)-4-methylbenzenecarboxamide, N-(2-benzoyl-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)-4-methylbenzamide
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 2.55402 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 943.21704 |
Chemical Identifiers
| CAS Number | 477845-30-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(S2)C(=O)C3=CC=CC=C3 |
Product Overview
N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide (CAS 477845-30-0), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide.
Chemical Property Profile of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide
Property Insights of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide
The XLogP value of 2.55402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide 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-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide?
The CAS number of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide is 477845-30-0.
What is the molecular formula of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide?
The molecular formula of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide is C17H13N3O3S.
What is the molecular weight of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide?
The molecular weight of N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide is 339.07 g/mol.
Where can I buy N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide?
You can request a quote for N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzoyl-3-oxo-1,2,4-thiadiazol-5-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.