N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide (CAS 391874-70-7) is a chemical compound with molecular formula C12H11BrClN3OS2 and molecular weight 390.92 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-chloropropanamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide, F0470-0278, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-chloropropanamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-chloropropanamide
| Molecular Formula | C12H11BrClN3OS2 |
|---|---|
| Molecular Weight | 390.92 g/mol |
| LogP | 4.1603 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.92154 |
| Heavy Atoms | 20 |
| Complexity | 576.33636 |
Chemical Identifiers
| CAS Number | 391874-70-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)CCCl)Br |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide (CAS 391874-70-7), with molecular formula C12H11BrClN3OS2 and molecular weight 390.92 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-chloropropanamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
The XLogP value of 4.1603 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide 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-chloropropanamide 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-chloropropanamide 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)-3-chloropropanamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is 391874-70-7.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is C12H11BrClN3OS2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is 390.92 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide 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-chloropropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.