BAS 02054558
TL;DR: BAS 02054558 (CAS 443741-49-9) is a chemical compound with molecular formula C21H16Cl2N4S and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: BAS 02054558, 4-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-((2,6-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyridine, 3-[(2,6-dichlorophenyl)methylthio]-4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-tria zole, 4-[5-(2,6-Dichloro-benzylsulfanyl)-4-p-tolyl-4H-[1,2,4]triazol-3-yl]-pyridine
| Molecular Formula | C21H16Cl2N4S |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 6.23682 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.04727 |
| Heavy Atoms | 28 |
| Complexity | 1075.106 |
Chemical Identifiers
| CAS Number | 443741-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)C4=CC=NC=C4 |
Product Overview
BAS 02054558 (CAS 443741-49-9), with molecular formula C21H16Cl2N4S and molecular weight 426.05 g/mol. IUPAC: 4-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of BAS 02054558
Property Insights of BAS 02054558
The XLogP value of 6.23682 indicates that BAS 02054558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, BAS 02054558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02054558 has 0 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 02054558?
The CAS number of BAS 02054558 is 443741-49-9.
What is the molecular formula of BAS 02054558?
The molecular formula of BAS 02054558 is C21H16Cl2N4S.
What is the molecular weight of BAS 02054558?
The molecular weight of BAS 02054558 is 426.05 g/mol.
Where can I buy BAS 02054558?
You can request a quote for BAS 02054558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054558?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.