BAS 02137876
TL;DR: BAS 02137876 (CAS 333313-07-8) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 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-naphthalen-1-ylacetamide
Also Known As: BAS 02137876, 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[4-ethyl-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-naphthylacetamide
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.8576 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1183.5205 |
Chemical Identifiers
| CAS Number | 333313-07-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4OC |
Product Overview
BAS 02137876 (CAS 333313-07-8), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of BAS 02137876
Property Insights of BAS 02137876
The XLogP value of 4.8576 indicates that BAS 02137876 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 02137876. Following Lipinski's Rule of Five, BAS 02137876 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 02137876?
The CAS number of BAS 02137876 is 333313-07-8.
What is the molecular formula of BAS 02137876?
The molecular formula of BAS 02137876 is C23H22N4O2S.
What is the molecular weight of BAS 02137876?
The molecular weight of BAS 02137876 is 418.15 g/mol.
Where can I buy BAS 02137876?
You can request a quote for BAS 02137876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137876?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.