BAS 01916111
TL;DR: BAS 01916111 (CAS 332935-32-7) is a chemical compound with molecular formula C23H16F3N5O3S and molecular weight 499.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 01916111, 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C23H16F3N5O3S |
|---|---|
| Molecular Weight | 499.09 g/mol |
| LogP | 5.5921 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.0926 |
| Heavy Atoms | 35 |
| Complexity | 1359.0869 |
Chemical Identifiers
| CAS Number | 332935-32-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 01916111 (CAS 332935-32-7), with molecular formula C23H16F3N5O3S and molecular weight 499.09 g/mol. IUPAC: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 01916111
Property Insights of BAS 01916111
The XLogP value of 5.5921 indicates that BAS 01916111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01916111. Following Lipinski's Rule of Five, BAS 01916111 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 BAS 01916111?
The CAS number of BAS 01916111 is 332935-32-7.
What is the molecular formula of BAS 01916111?
The molecular formula of BAS 01916111 is C23H16F3N5O3S.
What is the molecular weight of BAS 01916111?
The molecular weight of BAS 01916111 is 499.09 g/mol.
Where can I buy BAS 01916111?
You can request a quote for BAS 01916111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916111?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.