![4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide structure](/static/products/866/866013-80-1.png)
4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
TL;DR: 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CAS 866013-80-1) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
Also Known As: 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide, 4-(tert-butyl)-N-(3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl)benzamide, F1601-0426, N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-4-tert-butyl-benzamide
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 3.2194 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 684.1616 |
Chemical Identifiers
| CAS Number | 866013-80-1 |
|---|---|
| SMILES | CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CAS 866013-80-1), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
Property Insights of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
The XLogP value of 3.2194 indicates that 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[3-(2-oxopropyl)-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 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The CAS number of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is 866013-80-1.
What is the molecular formula of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The molecular formula of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is C16H19N3O2S.
What is the molecular weight of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The molecular weight of 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is 317.12 g/mol.
Where can I buy 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
You can request a quote for 4-tert-butyl-N-[3-(2-oxopropyl)-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 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.