BAS 01917976
TL;DR: BAS 01917976 (CAS 332871-04-2) is a chemical compound with molecular formula C28H22F3N5OS and molecular weight 533.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-naphthalen-1-yl-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01917976, N-naphthalen-1-yl-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1-naphthyl)-2-[(4-phenyl-5-{[3-(trifluoromethyl)anilino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(Naphthalen-1-yl)-2-((4-phenyl-5-(((3-(trifluoromethyl)phenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-naphthyl-2-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]amino}methyl)(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C28H22F3N5OS |
|---|---|
| Molecular Weight | 533.15 g/mol |
| LogP | 6.7822 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1497 |
| Heavy Atoms | 38 |
| Complexity | 1564.8796 |
Chemical Identifiers
| CAS Number | 332871-04-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)CNC5=CC=CC(=C5)C(F)(F)F |
Product Overview
BAS 01917976 (CAS 332871-04-2), with molecular formula C28H22F3N5OS and molecular weight 533.15 g/mol. IUPAC: N-naphthalen-1-yl-2-[[4-phenyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01917976
Property Insights of BAS 01917976
The XLogP value of 6.7822 indicates that BAS 01917976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01917976. Following Lipinski's Rule of Five, BAS 01917976 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01917976?
The CAS number of BAS 01917976 is 332871-04-2.
What is the molecular formula of BAS 01917976?
The molecular formula of BAS 01917976 is C28H22F3N5OS.
What is the molecular weight of BAS 01917976?
The molecular weight of BAS 01917976 is 533.15 g/mol.
Where can I buy BAS 01917976?
You can request a quote for BAS 01917976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01917976?
Yes, KEHONG BIO provides custom synthesis services for BAS 01917976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.