BAS 02137892
TL;DR: BAS 02137892 (CAS 333313-18-1) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02137892, N-(4-ethoxyphenyl)-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-ethoxyphenyl)-2-[4-ethyl-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acet amide
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 4.1031 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 956.815 |
Chemical Identifiers
| CAS Number | 333313-18-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=CC=C3OC |
Product Overview
BAS 02137892 (CAS 333313-18-1), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02137892
Property Insights of BAS 02137892
The XLogP value of 4.1031 indicates that BAS 02137892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02137892. Following Lipinski's Rule of Five, BAS 02137892 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02137892?
The CAS number of BAS 02137892 is 333313-18-1.
What is the molecular formula of BAS 02137892?
The molecular formula of BAS 02137892 is C21H24N4O3S.
What is the molecular weight of BAS 02137892?
The molecular weight of BAS 02137892 is 412.16 g/mol.
Where can I buy BAS 02137892?
You can request a quote for BAS 02137892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137892?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.