N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide (CAS 392302-59-9) is a chemical compound with molecular formula C13H14BrN3OS2 and molecular weight 370.98 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]butanamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide, F0417-1866, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C13H14BrN3OS2 |
|---|---|
| Molecular Weight | 370.98 g/mol |
| LogP | 4.3315 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.97617 |
| Heavy Atoms | 20 |
| Complexity | 571.2502 |
Chemical Identifiers
| CAS Number | 392302-59-9 |
|---|---|
| SMILES | CCCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Br |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide (CAS 392302-59-9), with molecular formula C13H14BrN3OS2 and molecular weight 370.98 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide
The XLogP value of 4.3315 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide 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)butyramide 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)butyramide 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-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide is 392302-59-9.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide is C13H14BrN3OS2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide is 370.98 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide 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)butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.