(E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
TL;DR: (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide (CAS 587844-65-3) is a chemical compound with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide, (2E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide, (2E)-N-[5-(tert-butyl)(1,3,4-thiadiazol-2-yl)]-3-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C15H16N4O3S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.3957 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0943 |
| Heavy Atoms | 23 |
| Complexity | 744.82764 |
Chemical Identifiers
| CAS Number | 587844-65-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide (CAS 587844-65-3), with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol. IUPAC: (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
Property Insights of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
The XLogP value of 3.3957 indicates that (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide 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 (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The CAS number of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is 587844-65-3.
What is the molecular formula of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is C15H16N4O3S.
What is the molecular weight of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is 332.09 g/mol.
Where can I buy (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.