BAS 02137864
TL;DR: BAS 02137864 (CAS 333312-99-5) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: BAS 02137864, 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide, 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-[4-ethyl-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxyphenyl)ace tamide
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.713 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 958.1288 |
Chemical Identifiers
| CAS Number | 333312-99-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3OC |
Product Overview
BAS 02137864 (CAS 333312-99-5), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 02137864
Property Insights of BAS 02137864
The XLogP value of 3.713 indicates that BAS 02137864 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 02137864. Following Lipinski's Rule of Five, BAS 02137864 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 02137864?
The CAS number of BAS 02137864 is 333312-99-5.
What is the molecular formula of BAS 02137864?
The molecular formula of BAS 02137864 is C20H22N4O3S.
What is the molecular weight of BAS 02137864?
The molecular weight of BAS 02137864 is 398.14 g/mol.
Where can I buy BAS 02137864?
You can request a quote for BAS 02137864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137864?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.