5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
TL;DR: 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide (CAS 391875-95-9) is a chemical compound with molecular formula C13H13BrClN3OS2 and molecular weight 404.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
Also Known As: 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide, 5-bromo-N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide, F0470-0457, 5-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
| Molecular Formula | C13H13BrClN3OS2 |
|---|---|
| Molecular Weight | 404.94 g/mol |
| LogP | 5.0985 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.9372 |
| Heavy Atoms | 21 |
| Complexity | 635.62897 |
Chemical Identifiers
| CAS Number | 391875-95-9 |
|---|---|
| SMILES | CCCCSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)Br)Cl |
Product Overview
5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide (CAS 391875-95-9), with molecular formula C13H13BrClN3OS2 and molecular weight 404.94 g/mol. IUPAC: 5-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide.
Chemical Property Profile of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
Property Insights of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
The XLogP value of 5.0985 indicates that 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide 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 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide?
The CAS number of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide is 391875-95-9.
What is the molecular formula of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide?
The molecular formula of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide is C13H13BrClN3OS2.
What is the molecular weight of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide?
The molecular weight of 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide is 404.94 g/mol.
Where can I buy 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide?
You can request a quote for 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(5-(butylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.