BAS 01816436
TL;DR: BAS 01816436 (CAS 332910-82-4) is a chemical compound with molecular formula C20H16BrF3N4OS and molecular weight 496.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01816436, 2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide,
2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-trifluor omethyl-phenyl)-acetamide, 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
| Molecular Formula | C20H16BrF3N4OS |
|---|---|
| Molecular Weight | 496.02 g/mol |
| LogP | 5.6432 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.01804 |
| Heavy Atoms | 30 |
| Complexity | 1068.2003 |
Chemical Identifiers
| CAS Number | 332910-82-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3Br |
Product Overview
BAS 01816436 (CAS 332910-82-4), with molecular formula C20H16BrF3N4OS and molecular weight 496.02 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01816436
Property Insights of BAS 01816436
The XLogP value of 5.6432 indicates that BAS 01816436 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 01816436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01816436 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 01816436?
The CAS number of BAS 01816436 is 332910-82-4.
What is the molecular formula of BAS 01816436?
The molecular formula of BAS 01816436 is C20H16BrF3N4OS.
What is the molecular weight of BAS 01816436?
The molecular weight of BAS 01816436 is 496.02 g/mol.
Where can I buy BAS 01816436?
You can request a quote for BAS 01816436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816436?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.