2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide
TL;DR: 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide (CAS 618441-44-4) is a chemical compound with molecular formula C22H22BrClN4OS and molecular weight 504.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-bromophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
Also Known As: 2-((4-(3-BR-PH)-5-CYCLOHEXYL-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-CL-PH)ACETAMIDE, 2-((4-(3-Bromophenyl)-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide, 2-[[4-(3-bromophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide, 644-752-3, RefChem:448456
| Molecular Formula | C22H22BrClN4OS |
|---|---|
| Molecular Weight | 504.04 g/mol |
| LogP | 6.4617 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.03864 |
| Heavy Atoms | 30 |
| Complexity | 1018.23193 |
Chemical Identifiers
| CAS Number | 618441-44-4 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C(N2C3=CC(=CC=C3)Br)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide (CAS 618441-44-4), with molecular formula C22H22BrClN4OS and molecular weight 504.04 g/mol. IUPAC: 2-[[4-(3-bromophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide
Property Insights of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide
The XLogP value of 6.4617 indicates that 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide?
The CAS number of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide is 618441-44-4.
What is the molecular formula of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide?
The molecular formula of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide is C22H22BrClN4OS.
What is the molecular weight of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide?
The molecular weight of 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide is 504.04 g/mol.
Where can I buy 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide?
You can request a quote for 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(3-BR-PH)-5-Cyclohexyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-CL-PH)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.