BAS 01157580
TL;DR: BAS 01157580 (CAS 332127-67-0) is a chemical compound with molecular formula C16H10BrCl3N4OS and molecular weight 489.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
Also Known As: BAS 01157580, 2-((3-(3-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(2,4,6-trichlorophenyl)acetamide, 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide, 2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,4,6-trichloro-phenyl)-acetamide
| Molecular Formula | C16H10BrCl3N4OS |
|---|---|
| Molecular Weight | 489.88 g/mol |
| LogP | 5.9252 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.88242 |
| Heavy Atoms | 26 |
| Complexity | 943.16797 |
Chemical Identifiers
| CAS Number | 332127-67-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl |
Product Overview
BAS 01157580 (CAS 332127-67-0), with molecular formula C16H10BrCl3N4OS and molecular weight 489.88 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.
Chemical Property Profile of BAS 01157580
Property Insights of BAS 01157580
The XLogP value of 5.9252 indicates that BAS 01157580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157580. Following Lipinski's Rule of Five, BAS 01157580 has 2 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 01157580?
The CAS number of BAS 01157580 is 332127-67-0.
What is the molecular formula of BAS 01157580?
The molecular formula of BAS 01157580 is C16H10BrCl3N4OS.
What is the molecular weight of BAS 01157580?
The molecular weight of BAS 01157580 is 489.88 g/mol.
Where can I buy BAS 01157580?
You can request a quote for BAS 01157580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157580?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.