BAS 02137881
TL;DR: BAS 02137881 (CAS 333313-11-4) is a chemical compound with molecular formula C20H19F3N4O2S and molecular weight 436.12 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-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 02137881, 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-({4-ethyl-5-[2-(methyloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C20H19F3N4O2S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.7232 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.11807 |
| Heavy Atoms | 30 |
| Complexity | 1036.8862 |
Chemical Identifiers
| CAS Number | 333313-11-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3OC |
Product Overview
BAS 02137881 (CAS 333313-11-4), with molecular formula C20H19F3N4O2S and molecular weight 436.12 g/mol. IUPAC: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 02137881
Property Insights of BAS 02137881
The XLogP value of 4.7232 indicates that BAS 02137881 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 02137881. Following Lipinski's Rule of Five, BAS 02137881 has 1 hydrogen bond donor(s) and 5 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 02137881?
The CAS number of BAS 02137881 is 333313-11-4.
What is the molecular formula of BAS 02137881?
The molecular formula of BAS 02137881 is C20H19F3N4O2S.
What is the molecular weight of BAS 02137881?
The molecular weight of BAS 02137881 is 436.12 g/mol.
Where can I buy BAS 02137881?
You can request a quote for BAS 02137881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137881?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.