N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide
TL;DR: N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide (CAS 476484-61-4) is a chemical compound with molecular formula C18H15BrClN3OS3 and molecular weight 498.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(4-Bromo-2-methylphenyl)-2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-(4-BR-2-ME-PH)-2-((5-((4-CL-BENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETAMIDE, 648-692-9, N-(4-bromo-2-methylphenyl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide, N-(4-bromo-2-methylphenyl)-2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C18H15BrClN3OS3 |
|---|---|
| Molecular Weight | 498.92 g/mol |
| LogP | 6.28552 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.92493 |
| Heavy Atoms | 27 |
| Complexity | 933.8562 |
Chemical Identifiers
| CAS Number | 476484-61-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide (CAS 476484-61-4), with molecular formula C18H15BrClN3OS3 and molecular weight 498.92 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide
Property Insights of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide
The XLogP value of 6.28552 indicates that N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide 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-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The CAS number of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide is 476484-61-4.
What is the molecular formula of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The molecular formula of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide is C18H15BrClN3OS3.
What is the molecular weight of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
The molecular weight of N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide is 498.92 g/mol.
Where can I buy N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
You can request a quote for N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-BR-2-ME-PH)-2-((5-((4-CL-Benzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.