N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
TL;DR: N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 476464-69-4) is a chemical compound with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: F0529-0565, N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide, N-(5-{[(4-NITROPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)-3-PHENYLPROPANAMIDE, N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
| Molecular Formula | C18H16N4O3S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 4.3099 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.06638 |
| Heavy Atoms | 27 |
| Complexity | 913.87085 |
Chemical Identifiers
| CAS Number | 476464-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 476464-69-4), with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol. IUPAC: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Property Insights of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
The XLogP value of 4.3099 indicates that N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide 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 N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide has 1 hydrogen bond donor(s) and 7 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-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The CAS number of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 476464-69-4.
What is the molecular formula of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular formula of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is C18H16N4O3S2.
What is the molecular weight of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular weight of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 400.07 g/mol.
Where can I buy N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
You can request a quote for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.