BAS 04026981
TL;DR: BAS 04026981 (CAS 557065-27-7) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04026981, N-(4-ethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethylphenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-ethylphenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide, N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.1703 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 845.6628 |
Chemical Identifiers
| CAS Number | 557065-27-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3 |
Product Overview
BAS 04026981 (CAS 557065-27-7), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04026981
Property Insights of BAS 04026981
The XLogP value of 3.1703 indicates that BAS 04026981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04026981. Following Lipinski's Rule of Five, BAS 04026981 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 04026981?
The CAS number of BAS 04026981 is 557065-27-7.
What is the molecular formula of BAS 04026981?
The molecular formula of BAS 04026981 is C18H19N5OS.
What is the molecular weight of BAS 04026981?
The molecular weight of BAS 04026981 is 353.13 g/mol.
Where can I buy BAS 04026981?
You can request a quote for BAS 04026981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04026981?
Yes, KEHONG BIO provides custom synthesis services for BAS 04026981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.