BAS 02223453
TL;DR: BAS 02223453 (CAS 333322-65-9) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02223453, N-(2,4-dimethylphenyl)-2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,4-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,4-dimethylphenyl)-2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,4-dimethylphenyl)-2-[4-(4-methylphenyl)-5-(phenoxymethyl)(1,2,4-triazol-3 -ylthio)]acetamide
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.50236 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1237.1489 |
Chemical Identifiers
| CAS Number | 333322-65-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)C)COC4=CC=CC=C4 |
Product Overview
BAS 02223453 (CAS 333322-65-9), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: N-(2,4-dimethylphenyl)-2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02223453
Property Insights of BAS 02223453
The XLogP value of 5.50236 indicates that BAS 02223453 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 02223453. Following Lipinski's Rule of Five, BAS 02223453 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 02223453?
The CAS number of BAS 02223453 is 333322-65-9.
What is the molecular formula of BAS 02223453?
The molecular formula of BAS 02223453 is C26H26N4O2S.
What is the molecular weight of BAS 02223453?
The molecular weight of BAS 02223453 is 458.18 g/mol.
Where can I buy BAS 02223453?
You can request a quote for BAS 02223453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02223453?
Yes, KEHONG BIO provides custom synthesis services for BAS 02223453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.