N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide (CAS 392303-01-4) is a chemical compound with molecular formula C18H16BrN3O3S2 and molecular weight 464.98 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]-3,4-dimethoxybenzamide
Also Known As: AN-465/41995261, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide, F0417-1922, N-(5-{[(4-BROMOPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)-3,4-DIMETHOXYBENZAMIDE, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
| Molecular Formula | C18H16BrN3O3S2 |
|---|---|
| Molecular Weight | 464.98 g/mol |
| LogP | 4.8624 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.98166 |
| Heavy Atoms | 27 |
| Complexity | 931.8562 |
Chemical Identifiers
| CAS Number | 392303-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)OC |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide (CAS 392303-01-4), with molecular formula C18H16BrN3O3S2 and molecular weight 464.98 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
The XLogP value of 4.8624 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide 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-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is 392303-01-4.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is C18H16BrN3O3S2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is 464.98 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide 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)-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.