BAS 02137860
TL;DR: BAS 02137860 (CAS 333312-96-2) 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-(4-methoxyphenyl)acetamide
Also Known As: BAS 02137860, 2-({4-ethyl-5-[2-(methyloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(methyloxy)phenyl]acetamide, 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
| 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 | 940.8788 |
Chemical Identifiers
| CAS Number | 333312-96-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3OC |
Product Overview
BAS 02137860 (CAS 333312-96-2), 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-(4-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 02137860
Property Insights of BAS 02137860
The XLogP value of 3.713 indicates that BAS 02137860 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 02137860. Following Lipinski's Rule of Five, BAS 02137860 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 02137860?
The CAS number of BAS 02137860 is 333312-96-2.
What is the molecular formula of BAS 02137860?
The molecular formula of BAS 02137860 is C20H22N4O3S.
What is the molecular weight of BAS 02137860?
The molecular weight of BAS 02137860 is 398.14 g/mol.
Where can I buy BAS 02137860?
You can request a quote for BAS 02137860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137860?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.