N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 477215-81-9) is a chemical compound with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-(5-{[(4-BROMOPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)-3-PHENYLPROPANAMIDE, F0529-1195, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide, N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide
| Molecular Formula | C18H16BrN3OS2 |
|---|---|
| Molecular Weight | 432.99 g/mol |
| LogP | 5.1642 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.99182 |
| Heavy Atoms | 25 |
| Complexity | 821.8523 |
Chemical Identifiers
| CAS Number | 477215-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CAS 477215-81-9), with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
The XLogP value of 5.1642 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 477215-81-9.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is C18H16BrN3OS2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is 432.99 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
You can request a quote for N-(5-((4-bromobenzyl)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-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.