BAS 03204447
TL;DR: BAS 03204447 (CAS 491646-01-6) is a chemical compound with molecular formula C21H20ClF3N4O2S and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03204447, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H20ClF3N4O2S |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 5.58842 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.09476 |
| Heavy Atoms | 32 |
| Complexity | 1104.889 |
Chemical Identifiers
| CAS Number | 491646-01-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)COC3=CC=CC=C3C |
Product Overview
BAS 03204447 (CAS 491646-01-6), with molecular formula C21H20ClF3N4O2S and molecular weight 484.09 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03204447
Property Insights of BAS 03204447
The XLogP value of 5.58842 indicates that BAS 03204447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03204447. Following Lipinski's Rule of Five, BAS 03204447 has 1 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 03204447?
The CAS number of BAS 03204447 is 491646-01-6.
What is the molecular formula of BAS 03204447?
The molecular formula of BAS 03204447 is C21H20ClF3N4O2S.
What is the molecular weight of BAS 03204447?
The molecular weight of BAS 03204447 is 484.09 g/mol.
Where can I buy BAS 03204447?
You can request a quote for BAS 03204447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03204447?
Yes, KEHONG BIO provides custom synthesis services for BAS 03204447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.