BAS 01542053
TL;DR: BAS 01542053 (CAS 332388-17-7) is a chemical compound with molecular formula C22H16BrClN4OS and molecular weight 497.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
Also Known As: BAS 01542053, 2-((5-(2-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chlorophenyl)acetamide, 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide, 2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-chloro-phenyl)-acetamide
| Molecular Formula | C22H16BrClN4OS |
|---|---|
| Molecular Weight | 497.99 g/mol |
| LogP | 6.081 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.99167 |
| Heavy Atoms | 30 |
| Complexity | 1182.7433 |
Chemical Identifiers
| CAS Number | 332388-17-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4=CC=CC=C4Br |
Product Overview
BAS 01542053 (CAS 332388-17-7), with molecular formula C22H16BrClN4OS and molecular weight 497.99 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.
Chemical Property Profile of BAS 01542053
Property Insights of BAS 01542053
The XLogP value of 6.081 indicates that BAS 01542053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 01542053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01542053 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 BAS 01542053?
The CAS number of BAS 01542053 is 332388-17-7.
What is the molecular formula of BAS 01542053?
The molecular formula of BAS 01542053 is C22H16BrClN4OS.
What is the molecular weight of BAS 01542053?
The molecular weight of BAS 01542053 is 497.99 g/mol.
Where can I buy BAS 01542053?
You can request a quote for BAS 01542053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01542053?
Yes, KEHONG BIO provides custom synthesis services for BAS 01542053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.