BAS 02137861
TL;DR: BAS 02137861 (CAS 333312-97-3) is a chemical compound with molecular formula C19H19ClN4O2S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02137861, N-(3-chlorophenyl)-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chlorophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-[4-ethyl-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acet amide
| Molecular Formula | C19H19ClN4O2S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.3578 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.09174 |
| Heavy Atoms | 27 |
| Complexity | 944.964 |
Chemical Identifiers
| CAS Number | 333312-97-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3OC |
Product Overview
BAS 02137861 (CAS 333312-97-3), with molecular formula C19H19ClN4O2S and molecular weight 402.09 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02137861
Property Insights of BAS 02137861
The XLogP value of 4.3578 indicates that BAS 02137861 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 02137861. Following Lipinski's Rule of Five, BAS 02137861 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 02137861?
The CAS number of BAS 02137861 is 333312-97-3.
What is the molecular formula of BAS 02137861?
The molecular formula of BAS 02137861 is C19H19ClN4O2S.
What is the molecular weight of BAS 02137861?
The molecular weight of BAS 02137861 is 402.09 g/mol.
Where can I buy BAS 02137861?
You can request a quote for BAS 02137861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137861?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.